Release Notes for 2026-06-26: Number of new affinity data: 45179 Number of compounds (ligands) new to BindingDB: 23471 Number of Targets new to BindingDB: 56 New Targets: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 (Q10588): 1 inhibitors ATP-dependent chromatin remodeler CHD1 (O14646): 56 inhibitors Activin receptor type-1C (Q8NER5): 1 inhibitors Aminopeptidase (Q9HZQ8): 3 inhibitors Aquaporin-3 (Q92482): 2 inhibitors Branched-chain alpha-ketoacid dehydrogenase kinase (Q00972): 2 inhibitors CDK15/Cyclin Y (Q96Q40,Q8ND76): 2 inhibitors Cyclin-dependent kinase 3/Cyclin-C (Q00526,P24863): 2 inhibitors D-histidine 2-aminobutanoyltransferase (A0A0H3JXA8): 4 inhibitors DIS3-like exonuclease 2 (Q8IYB7): 1 inhibitors Deubiquitinase and deneddylase Dub1 (B0B9A0): 23 inhibitors Deubiquitinase and deneddylase Dub2 (O84875): 1 inhibitors Fas-activated serine/threonine kinase (Q14296): 3 inhibitors GABA-A receptor; alpha-1/beta-2/gamma-2 (P14867,P47870,P47870): 2 inhibitors GABA-A receptor; alpha-1/beta-3/gamma-2 (P14867,P47870,P28472): 21 inhibitors GTPase KRas [1-169,G12V]/Son of sevenless homolog 1 [564-1049] (Q07889[564-1049],P01116[1-169,G12V]): 354 inhibitors GTPase NRas [G12D] (P01111[G12D]): 76 inhibitors Glucagon-1 (O42143): 3 inhibitors Glutamate receptor ionotropic, NMDA 1/2A/2B (Q12879,Q05586,Q13224): 1 inhibitors Glycogen [starch] synthase, liver/Glycogenin-1 (GN1) (P46976,P54840): 22 inhibitors Glycogen [starch] synthase, muscle/Glycogenin-1 (GN1) (P46976,P13807): 46 inhibitors Granzyme A (P12544): 3 inhibitors Hepatocyte nuclear factor 4-gamma (Q14541): 1 inhibitors Hepatoma-derived growth factor-related protein 2 (Q7Z4V5): 1 inhibitors High affinity nerve growth factor receptor NTRK1 [F589L] (P04629 [F589L]): 88 inhibitors Histone-lysine N-methyltransferase EHMT1/EHMT2 (Q96KQ7,Q9H9B1): 2 inhibitors Interferon regulatory factor 4 (Q15306): 50 inhibitors Interleukin-11 (P20809): 2 inhibitors L-histidine 2-aminobutanoyltransferase (Q9HUX4): 3 inhibitors Leukemia inhibitory factor receptor (P42702): 30 inhibitors Lymphocyte activation gene 3 protein (P18627): 5 inhibitors Macrophage infectivity potentiator (Q09734): 2 inhibitors Mitogen-activated protein kinase kinase kinase 11 (MLK3) (Q16584): 3 inhibitors Mitotic checkpoint serine/threonine-protein kinase BUB1 beta (O60566): 5 inhibitors Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 (Q9HAN9): 1 inhibitors Peptidyl-prolyl cis-trans isomerase (Q63J95): 2 inhibitors Phenazine biosynthesis protein PhzB 2 (Q02L47): 33 inhibitors Poly [ADP-ribose] polymerase tankyrase-1 (PARP5A) (O95271): 1 inhibitors Poly [ADP-ribose] polymerase tankyrase-2 (PARP5B) (Q9H2K2): 1 inhibitors Protein S100-A2 (P29034): 1 inhibitors Protein S100-A4 (P26447): 4 inhibitors Protein S100-A5 (P33763): 1 inhibitors Pyrin (O15553): 1 inhibitors RSV polymerase (Q9IWW8,P03421): 26 inhibitors Receptor-type tyrosine-protein phosphatase delta (P23468): 2 inhibitors SLP adapter and CSK-interacting membrane protein (Q6UWF3): 1 inhibitors Secernin-3 (Q0VDG4): 1 inhibitors Sensor protein VraS (Q99SZ7): 1 inhibitors Serine protease 27 (Q9BQR3): 3 inhibitors Serine/threonine protein kinase YCK2 (A0A1D8PKB4): 16 inhibitors Serine/threonine-protein kinase PINK1, mitochondrial (Q9BXM7): 5 inhibitors Sodium-dependent organic anion transporter (Q3KNW5): 47 inhibitors Steroid hormone receptor ERR1 [181-423] (P11474[181-423]): 192 inhibitors Triggering receptor expressed on myeloid cells 2 (Q9NZC2): 6 inhibitors tbps (unmapped): 14 inhibitors Number of new Entries: 1210 PubMed id or Patent id Title 37159395 Discovery and Optimization of Novel Biphenyl Derivatives Bearing Cyclopropyl Linkage as Potent Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Inhibitors. 38118392 Exploring diverse frontiers: Advancements of bioactive 4-aminoquinoline-based molecular hybrids in targeted therapeutics and beyond. 38401187 Targeting bromodomian-containing protein 8 (BRD8): An advanced tool to interrogate BRD8. 38401189 Macrocycles and macrocyclization in anticancer drug discovery: Important pieces of the puzzle. 38417219 Chemistry and pharmacological aspects of furanoid cannabinoids and related compounds: Is furanoid cannabinoids open a new dimension towards the non-psychoactive cannabinoids? 38479167 Improving Anti-HIV activity and pharmacokinetics of enfuvirtide (T20) by modification with oligomannose. 38508117 Cathepsin B: The dawn of tumor therapy. 38513341 Synthetic approaches and clinical application of small-molecule inhibitors of sodium-dependent glucose transporters 2 for the treatment of type 2 diabetes mellitus. 38531211 Glucagon-like peptide-1 analogs: Miracle drugs are blooming? 38628804 Chemical Space Profiling of SARS-CoV-2 PLpro Using DNA-Encoded Focused Libraries. 38643668 Application of covalent modality in proximity-induced drug pharmacology: Early development, current strategy, and feature directions. 38701715 Sesquilignans: Current research and potential prospective. 38746883 Identification of Dual Inhibitors Targeting Main Protease (Mpro) and Cathepsin L as Potential Anti-SARS-CoV-2 Agents. 38870833 Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors. 38875809 Discovery and biological evaluation of biaryl acetamide derivatives as selective and in vivo active sphingosine kinase-2 inhibitors. 38879971 Seven-membered N-heterocycles as approved drugs and promising leads in medicinal chemistry as well as the metal-free domino access to their scaffolds. 38889611 Advances in SHP2 tunnel allosteric inhibitors and bifunctional molecules. 38906533 Bifunctionality and Antitumor Efficacy of ZG-126, a Vitamin D Receptor Agonist/Histone Deacetylase Inhibitor Hybrid Molecule. 38924388 Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRASG12C Inhibitor. 38943600 Development of Peptide Paratope Mimics Derived from the Anti-ROR1 Antibody and Long-Acting Peptide-Drug Conjugates for Targeted Cancer Therapy. 38950284 Discovery and Hit to Lead Optimization of Macrocyclic Peptides as Novel Tropomyosin Receptor Kinase A Antagonists. 38950758 The search for pyruvate kinase-R activators; from a HTS screening hit via an impurity to the discovery of a lead series. 38972077 Biological function and small molecule inhibitors of histone deacetylase 11. 38981335 Recent advances in the chemistry and biology of oleanolic acid and its derivatives. 39002436 Small molecule agents against alopecia: Potential targets and related pathways. 39019240 Discovery of DS-1093a: An oral hypoxia-inducible factor prolyl hydroxylase inhibitor for the treatment of renal anemia. 39029337 Targeting focal adhesion kinase (FAK) in cancer therapy: A recent update on inhibitors and PROTAC degraders. 39033611 Autophagy modulation in cancer therapy: Challenges coexist with opportunities. 39043265 Investigation of the site 2 pocket of Grp94 with KUNG65 benzamide derivatives. 39046805 Chalcone-Monoterpene Derivatives from the Buds of Cleistocalyx operculatus and Their Potential as Protein Tyrosine Phosphatase 1B Inhibitors. 39047607 Strategies that regulate Hippo signaling pathway for novel anticancer therapeutics. 39053188 A comprehensive review of small molecule drugs approved by the FDA in 2023: Advances and prospects. 39059182 Unraveling the future: Innovative design strategies and emerging challenges in HER2-targeted tyrosine kinase inhibitors for cancer therapy. 39059564 Molecular design and evaluation of aza-polycyclic carbamoyl pyridones as HIV-1 integrase strand transfer inhibitors. 39067715 Discovery of aminopiperidine based potent & novel topoisomerase inhibitor with broad spectrum anti-bacterial activity. 39069105 Inhibition of protein tyrosine phosphatase 1B by serratane triterpenes from Huperzia serrata and their molecular docking study. 39079309 Synthetic approaches and application of representative clinically approved fluorine-enriched anti-cancer medications. 39083982 PROTAC technology: From drug development to probe technology for target deconvolution. 39089526 Chromenone: An emerging scaffold in anti-Alzheimer drug discovery. 39094527 Current status of the small molecule anti-HIV drugs in the pipeline or recently approved. 39098132 Macrocyclic-based strategy in drug design: From lab to the clinic. 39106652 Design, synthesis and biological evaluation of naphthyl amide derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors. 39106653 Discovery of macrocyclic covalent inhibitors for severe acute respiratory syndrome coronavirus 2 3CL protease. 39111073 Discovery of a potent, selective, and orally available EGFR C797S mutant inhibitor (DS06652923) with in vivo antitumor activity. 39111727 Design, synthesis and anti-HBV activity study of novel HBV capsid assembly modulators. 39111728 Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors. 39116535 Carbamoylation at C-8 position of natural 3-arylcoumarin scaffold for the discovery of novel PARP-1 inhibitors with potent anticancer activity. 39121678 Design, synthesis, anti-tumor activity and mechanism of novel PROTACs as degraders of PD-L1 and inhibitors of PD-1/PD-L1 interaction. 39121679 Recent contributions of pyridazine as a privileged scaffold of anticancer agents in medicinal chemistry: An updated review. 39121741 Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: Insights into their design, classification, biological activity, and binding interactions. 39128327 Recent discovery of natural substances with cathepsin L-inhibitory activity for cancer metastasis suppression. 39128361 FDA-approved small molecule kinase inhibitors for cancer treatment (2001-2015): Medical indication, structural optimization, and binding mode Part I. 39141375 Optimization of Ethoxzolamide Analogs with Improved Pharmacokinetic Properties for In Vivo Efficacy against Neisseria gonorrhoeae. 39146832 In vitro and in vivo evaluation of Bombesin-MMAE conjugates for targeted tumour therapy. 39146833 Isoalantolactone/hydroxamic acid hybrids as potent dual STAT3/HDAC inhibitors and self-assembled nanoparticles for cancer therapy. 39146834 Discovery of a potent melatonin-based inhibitor of quinone reductase-2 with neuroprotective and neurogenic properties. 39149094 Thiazolidine-2,4-dione hybrids as dual alpha-amylase and alpha-glucosidase inhibitors: design, synthesis, in vitro and in vivo anti-diabetic evaluation. 39149562 Quinoline-based Schiff bases as possible antidiabetic agents: ligand-based pharmacophore modeling, 3D QSAR, docking, and molecular dynamics simulations study. 39151120 Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases. 39151660 Synthesis and biological evaluation of novel aminoquinolines with an n-octyl linker: Impact of halogen substituents on C(7) or a terminal amino group on anticholinesterase and BACE1 activity. 39153663 Recent advances in triazole synthesis via click chemistry and their pharmacological applications: A review. 39157854 Design and synthesis of 7-azaindole derivatives as potent CDK8 inhibitors for the treatment of acute myeloid leukemia. 39158077 Discovery of 1,2,4-Triazole-3-thione Derivatives as Potent and Selective DCN1 Inhibitors for Pathological Cardiac Fibrosis and Remodeling. 39159528 Recent advancement in developing small molecular inhibitors targeting key kinase pathways against triple-negative breast cancer. 39163743 Advancing drug discovery: Thiadiazole derivatives as multifaceted agents in medicinal chemistry and pharmacology. 39163777 Halogenated retinoid derivatives as dual RARα and RXRα modulators for treating acute promyelocytic leukemia cells. 39167893 Structural insights into small-molecule KRAS inhibitors for targeting KRAS mutant cancers. 39167894 Synthesis and identification of a selective FGFR2 degrader with potent antiproliferative effects in gastric cancer. 39167978 A novel 7-phenoxy-benzimidazole derivative as a potent and orally available BRD4 inhibitor for the treatment of melanoma. 39173283 Synthesis and biological evaluation of novel 3,6- amide and thioamide substituted- 2,3,4,9-tetrahydro-1H-carbazoles for anti-cancer activity. 39173286 Progress of ATM inhibitors: Opportunities and challenges. 39178586 Synthesis, SAR, and application of JQ1 analogs as PROTACs for cancer therapy. 39179180 Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. 39180944 STATs, promising targets for the treatment of autoimmune and inflammatory diseases. 39180946 From lab to clinic: The discovery and optimization journey of PI3K inhibitors. 39182737 Design, synthesis and biological evaluation of thieno[3,2-c]pyrazol-urea derivatives as potent glycogen synthase kinase 3β inhibitors based on the DFG-out conformation. 39185455 Design, synthesis, inhibitory activity, and molecular simulations study for d-glucose-conjugated thioureas containing pyrimidine ring as multitarget inhibitors against α-amylase, α-glucosidase, DDP-4, and PTP1B in Type 2 diabetes mellitus. 39197252 Design, synthesis, and biological evaluation of oridonin derivatives as novel NLRP3 inflammasome inhibitors for the treatment of acute lung injury. 39214014 Design, synthesis and biological evaluation of a novel PAK1 degrader for the treatment of triple negative breast cancer. 39216382 Current development and structure-activity relationship study of berberine derivatives. 39217686 Design, classification, and adverse effects of NSAIDs: A review on recent advancements. 39217859 Novel pyridazinone derivatives bind to KSRP: Synthesis, anti-tumor biological evaluations and modelling insights. 39217860 Rational design of a high-affinity fluorescent probe for visualizing monitoring the amyloid β clearance effect of anti-Alzheimer's disease drug candidates. 39218405 Discovery of the potent covalent inhibitor with an acrylate warhead for SARS-CoV-2 3CL protease. 39218406 AChE inhibitory activity of N-substituted natural galanthamine derivatives. 39220762 Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5'-carboxamides. 39222890 Discovery and preclinical profile of YK-2168, a differentiated selective CDK9 inhibitor in clinical development. 39222891 Synthesis and evaluation of lipoic acid - donepezil hybrids for Alzheimer's disease using a straightforward strategy. 39226996 Design, synthesis and structure-activity relationship of malonic acid non-nucleoside derivatives as potent CD73 inhibitors. 39232359 A patent review of SCF E3 ligases inhibitors for cancer：Structural design, pharmacological activities and structure-activity relationship. 39232360 Discovery of selective Orai channel blockers bearing an indazole or a pyrazole scaffold. 39233187 Invention of novel 3-aminopiperidin-2-ones as calcitonin gene-related peptide receptor antagonists. 39233188 Rational design, synthesis and pharmacological characterization of novel aminopeptidase A inhibitors. 39236467 Recent advances in the design of small molecular drugs with acrylamides covalent warheads. 39236494 How many organic small molecules might be used to treat COVID-19? From natural products to synthetic agents. 39236495 Inhibitor of the non-structural protein 2 protease shows promising efficacy in mouse models of chikungunya. 39236496 Improved N-phenylpyrrolamide inhibitors of DNA gyrase as antibacterial agents for high-priority bacterial strains. 39236792 Discovery of 5-phenyl-3-ureidothiophene-2-carboxamides as protective agents for ALS patient iPSC-derived motor neurons. 39236793 Identification of triazolyl KAT6 inhibitors via a templated fragment approach. 39241481 HSP90/LSD1 dual inhibitors against prostate cancer as well as patient-derived colorectal organoids. 39241482 An update on small molecule compounds targeting synthetic lethality for cancer therapy. 39241668 Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation. 39243455 Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor. 39243456 Dual-target inhibitors based on acetylcholinesterase: Novel agents for Alzheimer's disease. 39246743 Next-generation EGFR tyrosine kinase inhibitors to overcome C797S mutation in non-small cell lung cancer (2019-2024). 39246744 Discovery and optimisation of pyrazolo[1,5-a]pyrimidines as aryl hydrocarbon receptor antagonists. 39246747 Chemical synthetic approaches to mimic the TRAIL: promising cancer therapeutics. 39246749 Design, synthesis and biological evaluation of a novel PSMA-PI3K small molecule drug conjugate. 39246751 Integrating amino acids into Bcr-Abl inhibitors: design, synthesis, biological evaluation, and in silico studies. 39246752 Pyridazinone-based derivatives as anticancer agents endowed with anti-microbial activity: molecular design, synthesis, and biological investigation. 39251111 Assessing the inhibitory effects of some secondary amines, thioureas and 1,3-dimethyluracil conjugates of (-)-cytisine and thermopsine on the RNA-dependent RNA polymerase of SARS-CoV-1 and SARS-CoV-2. 39255641 Structure-based discovery of a 4,5-Dihydropyrazole-cored PET ligand for imaging of receptor-interacting serine/threonine-protein kinase 1 (RIPK1) in the brain. 39255643 Benzothiazole a privileged scaffold for Cutting-Edges anticancer agents: Exploring drug design, structure-activity relationship, and docking studies. 39255644 Design, synthesis, and preclinical evaluation of 11C/18F-labeled inhibitors for RIPK1 PET imaging. 39255645 Nitrogen-containing heterocyclic drug products approved by the FDA in 2023: Synthesis and biological activity. 39258312 Discovery of SILA-123 as a Highly Potent FLT3 Inhibitor for the Treatment of Acute Myeloid Leukemia with Various FLT3 Mutations. 39259985 Updated pharmaceutical progress on plant antibiotic rhein and its analogs: Bioactivities, structure-activity relationships and future perspectives. 39260319 Innovative medicinal chemistry strategies for enhancing drug solubility. 39265249 The multicomponent Passerini reaction as a means of accessing diversity in structure, activity and properties: Soft and hard vanilloid/cannabinoid modulators. 39265251 Discovery of the selective and nanomolar inhibitor of DPP-4 more potent than sitagliptin by structure-guided rational design. 39265252 Simultaneous inhibition of FLT3 and HDAC by novel 6-ethylpyrazine-2-Carboxamide derivatives provides therapeutic advantages in acute myelocytic leukemia. 39265253 Replacement of the essential nitro group by electrophilic warheads towards nitro-free antimycobacterial benzothiazinones. 39268077 The synthesis and bioactivities of ROCK2 inhibitors with 1,2-dithiolan-3-yl motif. 39270449 Hydrazinecarboxamides: Comprehensive review of their anticancer, anticonvulsive, anti-inflammatory, enzyme inhibition, antioxidant and other activities. 39270452 Discovery of orally bioavailable phosphonate prodrugs of potent ENPP1 inhibitors for cancer treatment. 39270453 Hemithioindigo-based histone deacetylase inhibitors induce a light-dependent anticancer effect. 39270454 Discovery of the therapeutic potential of PPARδ agonist bearing 1,3,4- thiadiazole in inflammatory disorders. 39276582 Novel mechanistic insights - A brand new Era for anti-HBV drugs. 39276585 Overview of the PRMT6 modulators in cancer treatment: Current progress and emerged opportunity. 39278125 Design, synthesis, and biological evaluation of diphenyl ether substituted quinazolin-4-amine derivatives as potent EGFRL858R/T790M/C797S inhibitors. 39278366 Design and activity evaluation of new EGFR tyrosine kinase inhibitors containing cyclic polyamines. 39278367 Synthesis, biochemical screening and in-silico investigations of arylsulfonamides bearing linear and cyclic tails. 39281803 Sidechain structure-activity relationships of cyclobutane-based small molecule αvβ3 antagonists. 39283694 Discovery of A-910, a Highly Potent and Orally Bioavailable Dual MerTK/Axl-Selective Tyrosine Kinase Inhibitor. 39284456 Identification of isoquinolinone DHODH inhibitor isosteres. 39288595 Bioisosteric replacement of the carboxylic acid group in Hepatitis-C virus NS5B thumb site II inhibitors: phenylalanine derivatives. 39288597 Targeted degradation of METTL3 against acute myeloid leukemia and gastric cancer. 39288705 Design of inhibitors of SARS-CoV-2 papain-like protease deriving from GRL0617: Structure-activity relationships. 39290384 Design and synthesis of novel multi-target tetrabromophthalimides as CBS and Topo-II inhibitors and DNA intercalators. 39290385 New ATP-competitive inhibitors of E. coli GyrB obtained from the mapping of the hydrophobic floor at the binding site: synthesis and biological evaluation. 39291001 MALT1 Inhibitors for Treating Cancer and Immunological Diseases. 39291002 Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1. 39291032 Design and Synthesis of c-Met and HDAC Dual Inhibitors for the Treatment of Breast Cancer. 39292661 Peptidomimetic Analogues Act as Effective Inhibitors against SARS-CoV-2 by Blocking the Function of Cathepsin L. 39293244 Rationally designed febuxostat-based hydroxamic acid and its pH-Responsive nanoformulation elicits anti-tumor activity. 39297059 Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors. 39299082 Design, preparation and biological evaluation of new Rociletinib-inspired analogs as irreversible EGFR inhibitors to treat non-small-cell-lung cancer. 39299698 Synthesis and Antiosteoporotic Characterization of Diselenyl Maleimides: Discovery of a Potent Agent for the Treatment of Osteoporosis by Targeting RANKL. 39300597 Polypharmacological Drug Design Guided by Integrating Phenotypic and Restricted Fragment Docking Strategies. 39300610 Design, Synthesis, and Biological Evaluation of Lysine-Stapled Peptide Inhibitors of p53-MDM2/MDMX Interactions with Potent Antitumor Activity In Vivo. 39302813 Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases. 39303015 Viral Protein Dimerization Quality Control: A Design Strategy for a Potential Viral Inhibitor. 39303218 Optimization of the Central α-Amino Acid in Cystobactamids to the Broad-Spectrum, Resistance-Breaking Antibiotic CN-CC-861. 39303278 Structure Optimization of c-Jun N-terminal Kinase 1 Inhibitors for Treating Idiopathic Pulmonary Fibrosis. 39303295 Development of Fragment-Based Inhibitors of the Bacterial Deacetylase LpxC with Low Nanomolar Activity. 39303515 Discovery of 1(2H)-phthalazinone and 1(2H)-isoquinolinone derivatives as potent hematopoietic progenitor kinase 1 (HPK1) inhibitors. 39303517 Design, synthesis, and molecular dynamic simulations of some novel benzo[d]thiazoles with anti-virulence activity against Pseudomonas aeruginosa. 39305635 PROTAC unleashed: Unveiling the synthetic approaches and potential therapeutic applications. 39306048 Discovery of novel, orally bioavailable phenylacetamide derivatives as multikinase inhibitors and in vivo efficacy study in hepatocellular carcinoma animal models. 39307103 Utilizing artificial intelligence for precision exploration of N protein targeting phenanthridine sars-cov-2 inhibitors: A novel approach. 39309356 Structure-based virtual screening discovers novel PKMYT1 inhibitors. 39309364 Novel sulfonamides unveiled as potent anti-lung cancer agents via tumor pyruvate kinase M2 activation. 39311434 Discovery of AK-1690: A Potent and Highly Selective STAT6 PROTAC Degrader. 39311765 Computationally Driven Discovery of a BCR-ABL1 Kinase Inhibitor with Activity in Multidrug-Resistant Chronic Myeloid Leukemia. 39311818 Discovery of a Potent, Orally Active, and Long-Lasting P2X7 Receptor Antagonist as a Preclinical Candidate for Delaying the Progression of Chronic Kidney Disease. 39312412 Use of the Novel Site-Directed Enzyme Enhancement Therapy (SEE-Tx) Drug Discovery Platform to Identify Pharmacological Chaperones for Glutaric Acidemia Type 1. 39312834 Exploration of isatin-based inhibitors of SARS-CoV-2 Nsp15 endoribonuclease. 39315450 Computationally-Assisted Discovery and Assignment of a New Class of 6/6/5/5 Fused-Ring Diterpene Acting as Pregnane X Receptor Ligands from Isodon serra. 39316761 A Highly Atom-Efficient Prodrug Approach to Generate Synergy between H2S and Nonsteroidal Anti-inflammatory Drugs and Improve Safety. 39316842 Tetrazoles: A multi-potent motif in drug design. 39316843 Scaffold hopping-driven optimization for the identification of NLRP3 inhibitors as potential gout therapeutics. 39316844 Overview of PRMT1 modulators: Inhibitors and degraders. 39316846 Discovery of 7-(1-methyl-1H-pyrazol-4-yl)-1,6-naphthyridine derivatives as potent inhibitors of rearranged during transfection (RET) and RET solvent-front mutants for overcoming selpercatinib resistance. 39317006 Design, synthesis and biological evaluation of novel diphenylamine analogues as NLRP3 inflammasome inhibitors. 39320444 Syntheses of LSD1/HDAC Inhibitors with Demonstrated Efficacy against Colorectal Cancer: In Vitro and In Vivo Studies Including Patient-Derived Organoids. 39321314 First Demonstration of In Vivo PDE11A4 Target Engagement for Potential Treatment of Age-Related Memory Disorders. 39321318 Design, Synthesis, and Biological Evaluation of Covalently Mucoadhesive Derivatives as Nonsystemic Intestine-Targeted TGR5 Agonists. 39321690 Tackling triple negative breast cancer with HDAC inhibitors: 6 is the isoform! 39321740 Design, synthesis, and evaluation of a novel TRAIL-activated HDAC6 inhibitor for the treatment of pulmonary fibrosis. 39323296 Discovery and Optimization of a Series of Vinyl Sulfoximine-Based Analogues as Potent Nrf2 Activators for the Treatment of Multiple Sclerosis. 39326269 Peptide inhibitors targeting Ras and Ras-associated protein-protein interactions. 39331123 Discovery of BAY-405: An Azaindole-Based MAP4K1 Inhibitor for the Enhancement of T-Cell Immunity against Cancer. 39332384 A mini-review on integrase inhibitors: The cornerstone of next-generation HIV treatment. 39332648 AANAT kinetics of CoASH-targeted electrophiles of tryptamine and related analogs. 39340456 Discovery of Thiadiazoleamide Derivatives as Potent, Selective, and Orally Available Antagonists Disrupting Androgen Receptor Homodimer. 39341096 Discovery of a potent, Highly selective, and In vivo anti-inflammatory Efficacious, P2Y6R antagonist with a novel quinoline-pyrazole scaffold. 39341398 Design and Biophysical Characterization of Second-Generation cyclic peptide LAG-3 inhibitors for cancer immunotherapy. 39342681 Novel non-peptide uracil-derived human gonadotropin-releasing hormone receptor antagonists. 39342682 211At radiolabeled APBA-FAPI for enhanced targeted-alpha therapy of glioma. 39344184 Distinctive Immune Signatures Driven by Structural Alterations in Desmuramylpeptide NOD2 Agonists. 39344427 Discovery and Functional Characterization of a Potent, Selective, and Metabolically Stable PROTAC of the Protein Kinases DYRK1A and DYRK1B. 39345712 Asymmetric imidazole-4,5-dicarboxamide derivatives as SARS-CoV-2 main protease inhibitors: design, synthesis and biological evaluation. 39345714 Design, synthesis, and biological evaluation of novel thiazole derivatives as PI3K/mTOR dual inhibitors. 39345719 Discovery of selective LATS inhibitors via scaffold hopping: enhancing drug-likeness and kinase selectivity for potential applications in regenerative medicine. 39348762 Design, synthesis, and evaluation of chalcone derivatives as xanthine oxidase inhibitors. 39348763 Comprehensive structural investigation of a potent and selective CXCR4 antagonist via crosslink modification. 39350472 Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement. 39352547 Fragment Addition-Based Design of Heteroaromatic-Biphenyl-DAPYs as Potent and Orally Available Non-nucleoside Reverse Transcriptase Inhibitors Featuring Significantly Enhanced Safety. 39353238 The evolution of small-molecule Akt inhibitors from hit to clinical candidate. 39353240 Isoxazole compounds: Unveiling the synthetic strategy, in-silico SAR & toxicity studies and future perspective as PARP inhibitor in cancer therapy. 39356226 Hydrazide-Based Class I Selective HDAC Inhibitors Completely Reverse Chemoresistance Synergistically in Platinum-Resistant Solid Cancer Cells. 39357313 Development of novel focal adhesion kinase (FAK) inhibitors for targeting cancer: Structural insights and therapeutic potential. 39357315 Drug discovery of N-methyl-pyrazole derivatives as potent selective estrogen receptor degrader (SERD) for the treatment of breast cancer. 39357433 A review on synthetic inhibitors of dual-specific tyrosine phosphorylation-regulated kinase 1A (DYRK1A) for the treatment of Alzheimer's disease (AD). 39360636 Structure-Guided Discovery of cis-Hexahydro-pyrido-oxazinones as Reversible, Drug-like Monoacylglycerol Lipase Inhibitors. 39361251 Discovery of Oral Degraders of the ROS1 Fusion Protein with Potent Activity against Secondary Resistance Mutations. 39361522 N-Terminal Capping of the αO-Conotoxin Analogue GeX-2 Improves the Serum Stability and Selectivity toward the Human α9α10 Nicotinic Acetylcholine Receptor. 39366252 An insight into recent developments in imidazole based heterocyclic compounds as anticancer agents: Synthesis, SARs, and mechanism of actions. 39366253 Design and development of a series of 4-(piperazin-1-yl)pyrimidines as irreversible menin inhibitors. 39366254 PET imaging assist investigation of HDAC6 expression change in MDD and evaluating antidepressant efficacy of a newly developed HDAC6 inhibitor. 39368263 Discovery of novel 1,4-dicarbonylthiosemicarbazides as DNA gyrase inhibitors for the treatment of MRSA infection. 39368264 Design, synthesis, and biological evaluation of novel iNOS inhibitors as potent neuroprotective agents for ischemic stroke. 39369480 Discovery of novel third generation P-glycoprotein inhibitors bearing an azo moiety with MDR-reversing effect. 39369482 First fragment-based screening identifies new chemotypes inhibiting ERAP1-metalloprotease. 39369484 Identification of novel diarylpyrimidine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against wild-type and K103N mutant viruses. 39369485 Wee1 inhibitor optimization through deep-learning-driven decision making. 39369565 Discovery of dual-targeted molecules based on Olaparib and Rigosertib for triple-negative breast cancer with wild-type BRCA. 39369567 Rational design, synthesis, and biophysical characterization of a peptidic MDM2-MDM4 interaction inhibitor. 39369801 Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold. 39370853 Effects of SARS-CoV-2 Main Protease Mutations at Positions L50, E166, and L167 Rendering Resistance to Covalent and Noncovalent Inhibitors. 39374514 Discovery of a Potent, Selective, and Blood-Brain Barrier Permeable Non-nitrocatechol Inhibitor of Catechol-O-methyltransferase. 39378331 Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity. 39378610 Carbonic anhydrases: Moiety appended derivatives, medicinal and pharmacological implications. 39378824 A perspective on the development of small molecular neprilysin inhibitors (NEPi) with emphasis on cardiorenal disease. 39378828 Design, synthesis and enzymatic inhibition evaluation of novel 4-hydroxy Pd-C-Ⅲ derivatives as α-glucosidase and PTP1B dual-target inhibitors. 39382988 Design, Synthesis, and Pharmacological Evaluation of Dual FXR-LIFR Modulators for the Treatment of Liver Fibrosis. 39383322 Targeting Protein Kinase, Membrane-Associated Tyrosine/Threonine 1 (PKMYT1) for Precision Cancer Therapy: From Discovery to Clinical Trial. 39383651 Identification of novel indolinone derivatives as CTSC inhibitors to treat inflammatory bowel disease by modulating inflammatory factors. 39383652 Development of selective heterocyclic PDE4 inhibitors for treatment of psoriasis. 39384075 Design, synthesis and biological evaluation of novel benzocoumarin derivatives as potent inhibitors of MAO-B activity. 39384076 Synthesis, optimization and antitumor activity evaluation of sulfonyl benzoyl hydrazide derivatives as novel human LSD1 inhibitors. 39385716 Discovery of Novel 5-(Pyridazin-3-yl)pyrimidine-2,4(1H,3H)-dione Derivatives as Potent and Orally Bioavailable Inhibitors Targeting Ecto-5'-nucleotidase. 39386059 Understanding the mechanisms of antimicrobial resistance and potential therapeutic approaches against the Gram-negative pathogen Acinetobacter baumannii. 39388369 Novel Far-Red Fluorescent 1,4-Dihydropyridines for L-Type Calcium Channel Imaging. 39388678 Discovery of Propionic Acid Derivatives with a 5-THIQ Core as Potent and Orally Bioavailable Keap1-Nrf2 Protein-Protein Interaction Inhibitors for Acute Kidney Injury. 39388904 Discovery of new pyrazole-4-carboxamide analogues as potential anticancer agents targeting dual aurora kinase A and B. 39388906 Hiding in plain sight: Optimizing topoisomerase IIα inhibitors into Hsp90β selective binders. 39388907 Discovery of pyrazolo[1,5-a]pyrimidine derivatives targeting TLR4-TLR4∗ homodimerization via AI-powered next-generation screening. 39393299 Design, synthesis and biological evaluation of arylpropylamine derivatives as potential multi-target antidepressants. 39395632 Design and optimization of novel Tetrahydro-β-carboline-based HDAC inhibitors with potent activities against tumor cell growth and metastasis. 39395633 Design, synthesis and biological evaluation of sulfonylurea derivatives as NLRP3 inflammasome inhibitors. 39396421 Reversal of insulin resistance to combat type 2 diabetes mellitus by newer thiazolidinedione's in fructose induced insulin resistant rats. 39396466 Inhibition of LPS-induced inflammatory response in RAW264.7 cells by natural Chlorogenic acid isomers involved with AKR1B1 inhibition. 39396683 Discovery of sulfone containing metallo-β-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues. 39399311 Mannich reaction mediated derivatization of chromones and their biological evaluations as putative multipotent ligands for the treatment of Alzheimer's disease. 39399313 New anti-ovarian cancer quinolone derivatives acting by modulating microRNA processing machinery. 39404162 Pyrazolo-Pyrimidinones with Improved Solubility and Selective Inhibition of Adenylyl Cyclase Type 1 Activity for Treatment of Inflammatory Pain. 39405362 First-in-Class Small Molecule Degrader of Pregnane X Receptor Enhances Chemotherapy Efficacy. 39406112 Covalent inhibitors meet epigenetics: New opportunities. 39406114 Applying molecular hybridization to design a new class of pyrazolo[3,4-d]pyrimidines as Src inhibitors active in hepatocellular carcinoma. 39406116 Discovery of a novel KV7.2/7.3 channels agonist for the treatment of neuropathic pain. 39406118 The journey of p38 MAP kinase inhibitors: From bench to bedside in treating inflammatory diseases. 39406119 Discovery of CLKs inhibitors for the treatment of non-small cell lung cancer. 39411524 Design, Biological Characterization, and Discovery of Novel Cyclohexenyl Derivatives as Kinesin KIF18A Inhibitors for the Treatment of Ovarian Cancer. 39411525 Neuroprotective Effect of 2-(Benzyloxy)arylureas Is Not Related to CypD Inhibition nor Suppression of mPTP Opening. 39411526 Lasamide, a Potent Human Carbonic Anhydrase Inhibitor from the Market: Inhibition Profiling and Crystallographic Studies. 39411528 Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. 39411531 Exploring the 1-(4-Nitrophenyl)-3-arylprop-2-en-1-one Scaffold for the Selective Inhibition of Monoamine Oxidase B. 39411532 Discovery of BAY 2666605, a Molecular Glue for PDE3A and SLFN12. 39411537 Rapid Affinity and Microsomal Stability Ranking of Crude Mixture Libraries of Histone Deacetylase Inhibitors. 39411538 Modulation of the Adjuvant Potential of Imidazoquinoline-Based TLR7/8 Agonists via Alum Adsorption. 39411539 Structure-Activity Relationship of Potent, Selective, and Orally Bioavailable Molecular Glue Degraders of CK1α. 39411540 Discovery of Novel Nonpeptidic Proteasome Inhibitors Using Covalent Virtual Screening and Biological Evaluation. 39413441 Inhibitors targeting the PWWP domain-containing proteins. 39413443 Discovery of glycosidated glycyrrhetinic acid derivatives: Natural product-based soluble epoxide hydrolase inhibitors. 39415349 Discovery of Janus Kinase and Histone Deacetylase Dual Inhibitors as a New Strategy to Treat Psoriasis. 39418125 Enantiomerically Pure Indazole Bioisosteres of Ifenprodil and Ro 25-6981 as Negative Allosteric Modulators of NMDA Receptors with the GluN2B Subunit. 39418396 Structure-Guided Conformational Restriction Leading to High-Affinity, Selective, and Cell-Active Tetrahydroisoquinoline-Based Noncovalent Keap1-Nrf2 Inhibitors. 39418501 "Pseudosubstrate Envelope"/Free Energy Perturbation-Guided Design and Mechanistic Investigations of Benzothiazole HIV Capsid Modulators with High Ligand Efficiency. 39419503 Structure-Activity Relationships and Target Selectivity of Phenylsulfonylamino-Benzanilide Inhibitors Based on S1647 at the SLC10 Carriers ASBT, NTCP, and SOAT. 39422731 Discovery of Bis-imidazolecarboxamide Derivatives as Novel, Potent, and Selective TNIK Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. 39425667 Covalent Inhibitors of S100A4 Block the Formation of a Pro-Metastasis Non-Muscle Myosin 2A Complex. 39426431 Biological evaluation of signal transducer and activator of transcription 3 (STAT3) targeting by phaeosphaeride A and its analogs. 39427514 HDAC8 as a target in drug discovery: Function, structure and design. 39427515 Identification of furo[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-thiadiazole derivatives as novel FLT3-ITD inhibitors. 39427517 Synthesis of 3-heteroaryl-pyrrolo[2,3-b]pyridines as potent inhibitors of AP-2-associated protein kinase 1 (AAK1) with antiviral activity. 39427518 Design, synthesis and biological evaluation of novel benzimidazole-derived p21-activited kinase 4 (PAK4) inhibitors bearing a 4-(4-methylpiperazin-1-yl)phenyl scaffold as potential antitumor agents. 39427529 Novel benzenesulfonamide-aroylhydrazone conjugates as carbonic anhydrase inhibitors that induce MAPK/ERK-mediated cell cycle arrest and mitochondrial-associated apoptosis in MCF-7 breast cancer cells. 39430101 The role of silicon in drug discovery: a review. 39430948 Design, synthesis, and evaluation of benzhydrylpiperazine-based novel dual COX-2/5-LOX inhibitors with anti-inflammatory and anti-cancer activity. 39430950 Therapeutic upregulation of DNA repair pathways: strategies and small molecule activators. 39430951 Inhibition of monoamine oxidases by heterocyclic derived conjugated dienones: synthesis and in vitro and in silico investigations. 39430953 Design, synthesis, and structure-activity relationship studies of 6H-benzo[b]indeno[1,2-d]thiophen-6-one derivatives as DYRK1A/CLK1/CLK4/haspin inhibitors. 39431857 Structure-Affinity-Pharmacokinetics Relationships of Novel 18F-Labeled 1,4-Diazepane Derivatives for Orexin 1 Receptor Imaging. 39432709 Discovery of ZG-2305, an Orally Bioavailable Factor Inhibiting HIF Inhibitor for the Treatment of Obesity and Fatty Liver Disease. 39432934 Advances in diarylpyrimidines and related analogues as HIV-1 nonnucleoside reverse transcriptase inhibitors (2019-2023). 39437163 Discovery and Synthesis of Heterobifunctional Degraders of Rearranged during Transfection (RET) Kinase. 39437574 Discovery of small molecules for autophagy-lysosome degradation of immune checkpoint proteins. 39437575 Advances in synthesis of novel annulated azecines and their unique pharmacological properties. 39437576 Sensitive quantification of fibroblast activation protein and high-throughput screening for inhibition by FDA-approved compounds. 39441669 Structure-Guided Discovery of Selective USP7 Inhibitors with In Vivo Activity. 39441986 Targeting PfCLK3 with Covalent Inhibitors: A Novel Strategy for Malaria Treatment. 39442082 Indolo[3,2-c]isoquinoline Hydroxamic Acid Derivatives as Novel Orally Topoisomerase-Histone Deacetylase Dual Inhibitors for NSCLC Therapy. 39442336 Naphthalen-1-ylethanamine-containing small molecule inhibitors of the papain-like protease of SARS-CoV-2. 39442337 Discovery of quinazoline-benzothiazole derivatives as novel potent protease-activated receptor 4 antagonists with improved pharmacokinetics and low bleeding liability. 39442338 Structure-guided inhibitor design targeting CntL provides the first chemical validation of the staphylopine metallophore system in bacterial metal acquisition. 39442339 Dizocilpine derivatives as neuroprotective NMDA receptor antagonists without psychomimetic side effects. 39442491 Structure-guided design and photochemical synthesis of new carbamo(dithioperoxo)thioates with improved potencies to SARS-CoV-2 3CLpro. 39444201 4-Anilinoquinazoline Derivatives as the First Potent NOD1-RIPK2 Signaling Pathway Inhibitors at the Nanomolar Range. 39445572 Discovery of Potent and Selective Blockers Targeting the Epilepsy-Associated KNa1.1 Channel. 39445793 Structurally Minimalized and Druglike TGase2 Inhibitors Based on 7-Aminoquinoline-5,8-dione Scaffolds for the Treatment of Diabetic Retinopathy. 39446986 Discovery of Novel PROTAC-Based HPK1 Degraders with High Potency and Selectivity for Cancer Immunotherapy. 39446989 The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin αvβ6 Inhibitor for Fibrosis. 39447020 Superacid-Synthesized Fluorinated Diamines Act as Selective hCA IV Inhibitors. 39447075 Immune Checkpoint-Modulating Photosensitizer That Targets BRD4 for Cancer Photoimmunotherapy. 39447537 Design of a potent and selective dual JAK1/TYK2 inhibitor. 39448068 Development of an Intravenously Stable Disulfide-Rich Peptide for the Treatment of Chemotherapy-Induced Neuropathic Pain. 39450890 Discovery and Characterization of BAY-184: A New Potent and Selective Acylsulfonamide-Benzofuran In Vivo-Active KAT6AB Inhibitor. 39453309 Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 Mpro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants. 39453626 Inhibition of Pseudomonas aeruginosa Carbonic Anhydrases, Exploring Ciprofloxacin Functionalization Toward New Antibacterial Agents: An In-Depth Multidisciplinary Study. 39454222 Synthesis, in vitro and in vivo biological evaluation of novel dual compounds targeting both acetylcholinesterase and serotonergic 5-HT4 receptors with potential interest in the treatment of Alzheimer's disease. 39454559 Design, synthesis and biological evaluation of 4,6-diarylquinoxaline-based KDM4D inhibitors. 39454560 Modulation of aryl hydrocarbon receptor activity by halogenated indoles. 39454561 Discovery and evaluation of novel SHIP-1 inhibitors. 39461036 Discovery of novel substituted (Z)-N'-hydroxy-3-(3-phenylureido)benzimidamide derivatives as multifunctional molecules targeting pathological hallmarks of Alzheimer's disease. 39461037 Rational fragment-based design of compounds targeting the PWWP domain of the HRP family. 39461038 Recent advances in peptoids as promising antimicrobial agents to target diverse microbial species. 39462841 Structural Modification and Pharmacological Evaluation of (Thiadiazol-2-yl)pyrazines as Novel Piezo1 Agonists for the Intervention of Disuse Osteoporosis. 39463278 Discovery of BAY 2413555, First Selective Positive Allosteric Modulator of the M2 Receptor to Restore Cardiac Autonomic Balance. 39464651 Development, biological evaluation, and molecular modelling of some benzene-sulfonamide derivatives as protein tyrosine phosphatase-1B inhibitors for managing diabetes mellitus and associated metabolic disorders. 39471709 Design, synthesis, and pharmacological characterization of sulfonylurea-based NLRP3 inhibitors: Towards an effective therapeutic strategy for Alzheimer's disease. 39477127 Design, synthesis and evaluation of 3-(2-(substituted benzyloxy)benzylidene) pyrrolidine-2,5-dione derivatives for novel ATX inhibitor. 39477129 Novel drug discovery approaches for MMP-13 inhibitors in the treatment of osteoarthritis. 39478665 Perspective for Drug Discovery Targeting SARS Coronavirus Methyltransferases: Function, Structure and Inhibition. 39479473 Breaking boundaries in diabetic nephropathy treatment: design and synthesis of novel steroidal SGLT2 inhibitors. 39481228 Natural phenol carbamates: Selective BuChE/FAAH dual inhibitors show neuroprotection in an Alzheimer's disease mouse model. 39482858 A Prostate-Specific Membrane Antigen-Targeting Small Molecule-Drug Conjugate Strategy to Overcome the Hematological Toxicity of Olaparib. 39485242 Discovery of ERD-1233 as a Potent and Orally Efficacious Estrogen Receptor PROTAC Degrader for the Treatment of ER+ Human Breast Cancer. 39485736 Synthesis and Biological Evaluation of New Chalcogen Semicarbazone (S, Se) and Their Azole Derivatives against Chagas Disease. 39486488 Discovery and evaluation of HW161023 as a potent and orally active AAK1 inhibitor. 39487790 Azobenzene-Tagged Photopeptides Exhibiting Excellent Selectivity and Light-Induced Cytotoxicity in MCF-7 Cells over HeLa and A549. 39488171 A critical analysis of design, binding pattern and SAR of benzo-fused heteronuclear compounds as VEGFR-2 inhibitors. 39488968 One stone two birds: Introducing piperazine into a series of nucleoside derivatives as potent and selective PRMT5 inhibitors. 39489228 Synthesis, highly potent α-glucosidase inhibition, antioxidant and molecular docking of various novel dihydropyrimidine derivatives to treat diabetes mellitus. 39492719 Identification of Oral Bioavailable Coumarin Derivatives as Potential AR Antagonists Targeting Prostate Cancer. 39493221 Ligand-centred phenotype-driven development of potent kinase inhibitors against oesophageal cancer. 39493223 Novel benzenesulfonamides containing a dual triazole moiety with selective carbonic anhydrase inhibition and anticancer activity. 39493228 Recent advances from computer-aided drug design to artificial intelligence drug design. 39495097 A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins. 39498544 Expanding the Solvent/Protein Region Occupation of the Non-Nucleoside Reverse Transcriptase Inhibitor Binding Pocket for Improved Broad-Spectrum Anti-HIV-1 Efficacy: from Rigid Phenyl-Diarylpyrimidines to Flexible Hydrophilic Piperidine-Diarylpyrimidines. 39499084 Discovery of Highly Selective Inhibitors of Microtubule-Associated Serine/Threonine Kinase-like (MASTL). 39499574 Structure-Based Design of Covalent SARS-CoV-2 Papain-like Protease Inhibitors. 39499621 Target Ligand Separation and Identification of Isoforsythiaside as a Histone Lysine-Specific Demethylase 1 Covalent Inhibitor Against Breast Cancer Metastasis. 39500063 Tubulin/HDAC dual-target inhibitors: Insights from design strategies, SARs, and therapeutic potential. 39504592 2-Arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropanoic acids as selective and effective carboxylesterase inhibitors with powerful antioxidant potential. 39504593 Synthesis and biological evaluation of sugar-modified truncated carbanucleosides as A2A and A3 adenosine receptor ligands to explore conformational effect to the receptors. 39504793 Design, synthesis, and evaluation of 4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine derivatives as potential glutaminyl cyclase isoenzyme inhibitors for the treatment of cancer. 39504795 Discovery of peptidomimetic spiropyrrolidine derivatives as novel 3CLpro inhibitors against SARS-CoV -2. 39506904 Small-Molecule Modulators Targeting Coactivator-Associated Arginine Methyltransferase 1 (CARM1) as Therapeutic Agents for Cancer Treatment: Current Medicinal Chemistry Insights and Emerging Opportunities. 39507615 Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H2S release profiles. 39508435 Discovery of CHD1 Antagonists for PTEN-Deficient Prostate Cancer. 39508817 Discovery of 5-Nitro-N-(3-(trifluoromethyl)phenyl) Pyridin-2-amine as a Novel Pure Androgen Receptor Antagonist against Antiandrogen Resistance. 39509481 Discovery of SZJK-0421: A Novel Potent, Low Toxicity, Selective Second Generation of CRM1 Inhibitor for the Treatment of Both Hematological and Solid Tumors. 39509603 Discovery of SD-436: A Potent, Highly Selective and Efficacious STAT3 PROTAC Degrader Capable of Achieving Complete and Long-Lasting Tumor Regression. 39509759 Synthesis of α-fluorocinnamate derivatives as novel cathepsin S inhibitors with in vitro antiproliferative activity against pancreatic cancer cells. 39509760 Design, synthesis and therapeutic evaluation of novel antimalarial derivatives based on the clinical antitumor candidate drug Quisinostat. 39509946 Recent report on indoles as a privileged anti-viral scaffold in drug discovery. 39512947 Discovery of N-substituted-2-oxoindolin benzoylhydrazines as c-MET/SMO modulators in EGFRi-resistant non-small cell lung cancer. 39513478 Recent Progress and Future Perspectives on Anti-Hyperuricemic Agents. 39513566 Structure-Activity Relationships and Discovery of (S)-5-(tert-Butyl)-11-(difluoromethoxy)-9-methoxy-2-oxo-1,2,5,6-tetrahydropyrido[2',1':2,3]imidazo[4,5-h]quinoline-3-carboxylic Acid (AB-161), a Novel Orally Available and Liver-Centric HBV RNA Destabilizer. 39514323 Discovery of Thiazole Carboxamides as Novel Vanin-1 Inhibitors for Inflammatory Bowel Disease Treatment. 39515174 Discovery of pyrrolopyrimidinone derivatives as potent PKMYT1 inhibitors for the treatment of cancer. 39520367 Discovery of a Novel Macrocyclic Noncovalent CDK7 Inhibitor for Cancer Therapy. 39520680 Structure-Guided Design of Affinity/Covalent-Bond Dual-Driven Inhibitors Targeting the AMP Site of FBPase. 39520729 Discovery of the first selective and potent PROTAC degrader for the pseudokinase TRIB2. 39521149 Mechanism-based inactivators of sirtuin 5: A focused structure-activity relationship study. 39521150 Cladophorol-A is an inhibitor of cyclic GMP-AMP synthase. 39522492 Discovery of cloxiquine derivatives as potent HDAC inhibitors for the treatment of melanoma via activating PPARγ. 39523548 Discovery of the First-in-Class Dual-Target ROCK/HDAC Inhibitor with Potent Antitumor Efficacy in Vivo That Trigger Antitumor Immunity. 39526345 Exploring Biological Targets of Magnolol and Honokiol and their Nature-Inspired Synthetic Derivatives: In Silico Identification and Experimental Validation of Estrogen Receptors. 39526976 Synthesis and Pharmacological Characterization of Fluorescent Ligands Targeting the Angiotensin II Receptors Derived from Agonists, β-Arrestin-Biased Agonists, and Antagonists. 39527066 Unnatural Amino Acids: Strategies, Designs, and Applications in Medicinal Chemistry and Drug Discovery. 39527892 Design, synthesis, and cytotoxicity screening of novel pyrazolopyrimidines over renal cell carcinoma (UO-31 cells) as p38α inhibitors, and apoptotic cells inducing activities. 39527893 Next-generation cancer therapeutics: PROTACs and the role of heterocyclic warheads in targeting resistance. 39530508 Prioritization of Eleven-Nineteen-Leukemia Inhibitors as Orally Available Drug Candidates for Acute Myeloid Leukemia. 39531933 Discovery of novel thiosemicarbazone-acridine targeting butyrylcholinesterase with antioxidant, metal complexing and neuroprotector abilities as potential treatment of Alzheimer's disease: In vitro, in vivo, and in silico studies. 39535061 Design, Synthesis, and Biological Evaluation of New Selective PDE4 Inhibitors for Topical Treatment of Psoriasis. 39536262 Design, Synthesis, and Biological Evaluation of Novel Diaminopyrimidine Macrocycles as Fourth Generation Reversible EGFR Inhibitors That Overcome Clinical Resistance to Osimertinib Mediated by C797S Mutation. 39536361 Ringing medicinal chemistry: The importance of 3-membered rings in drug discovery. 39536362 Discovery of the synergy between sulindac and NO expands the application of NSAIDs in cardiac complications. 39536493 Rational design and synthesis of novel N-benzylindole-based epalrestat analogs as selective aldose reductase inhibitors: An unexpected discovery of a new glucose-lowering agent (AK-4) acting as a mitochondrial uncoupler. 39536498 Discovery of novel fused-heterocycle-bearing diarypyrimidine derivatives as HIV-1 potent NNRTIs targeting tolerant region I for enhanced antiviral activity and resistance profile. 39536836 Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. 39540222 Discovery of Novel 5-Cyano-3-phenylindole-Based LSD1/HDAC Dual Inhibitors for Colorectal Cancer Treatment. 39540340 Design and Synthesis of Acyclic Boronic Acid Arginase Inhibitors. 39540576 Generation of BT-Amide, a Bone-Targeted Pyk2 Inhibitor, Effective via Oral Administration, for the Prevention of Glucocorticoid-Induced Bone Loss. 39541507 Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution. 39541564 Discovery of Chalcone Derivatives as Bifunctional Molecules with Anti-SARS-CoV-2 and Anti-inflammatory Activities. 39541871 Discovery of novel phenyl urea SHP2 inhibitors with anti-colon cancer and potential immunomodulatory effects. 39546350 Discovery of 1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline Derivative as Orally Bioavailable and Safe RORγt Inverse Agonists for Potential Treatment of Rheumatoid Arthritis. 39546471 Discovery of Selective PDE1 Inhibitors with Anti-pulmonary Fibrosis Effects by Targeting the Metal Pocket. 39547080 Synthesis and structure-affinity relationships of spirocyclic σ1 receptor ligands with tetrahydropyran scaffold. 39547082 Development of selective sigma-1 receptor ligands with antiallodynic activity: A focus on piperidine and piperazine scaffolds. 39549325 Design, synthesis, and X-ray structural studies of a series of highly potent, selective, and drug-like G protein-coupled receptor kinase 5 inhibitors. 39549501 Sulfonamide-derivatized galactosides selectively target an unexplored binding site in the galectin-9N-terminal domain. 39549507 Multicomponent syntheses enable the discovery of novel quisinostat-derived chemotypes as histone deacetylase inhibitors. 39550697 4-(Pyrazolyl)benzenesulfonamide Ureas as Carbonic Anhydrases Inhibitors and Hypoxia-Mediated Chemo-Sensitizing Agents in Colorectal Cancer Cells. 39550891 Exploring the rhodanine universe: Design and synthesis of fluorescent rhodanine-based derivatives as anti-fibrillar and anti-oligomer agents against α-synuclein and 2N4R tau. 39551220 Grafting a chromophore on AMD070 analogues for CXCR4 bioimaging: Chemical synthesis and in vitro assessment of the inhibition properties of the CXCR4 receptor. 39552474 Tyrosinase Inhibitory Properties of Compounds Isolated from Artocarpus integer Roots. 39552553 De Novo Discovery of a Noncovalent Cell-Penetrating Bicyclic Peptide Inhibitor Targeting SARS-CoV-2 Main Protease. 39556895 Enantiomeric C-6 fluorinated swainsonine derivatives as highly selective and potent inhibitors of α-mannosidase and α-l-rhamnosidase: Design, synthesis and structure-activity relationship study. 39558532 Opportunities and Challenges of Arginase Inhibitors in Cancer: A Medicinal Chemistry Perspective. 39560374 Advancements in NMDA Receptor-Targeted Antidepressants: From d-Cycloserine Discovery to Preclinical Efficacy of Lu AF90103. 39560668 Discovery of First Branched-Chain Ketoacid Dehydrogenase Kinase (BDK) Inhibitor Clinical Candidate PF-07328948. 39561494 Design, synthesis, and structure-activity relationship studies of triazolo-pyrimidine derivatives as WRN inhibitors for the treatment of MSI tumors. 39561499 Allosteric inhibition of PTP1B by bromocatechol-chalcone derivatives. 39561981 Lysine-Targeted Covalent Inhibitors of PI3Kδ Synthesis and Screening by In Situ Interaction Upgradation. 39563791 1-Deoxynojirimycin Derivative Containing Tegafur Induced HCT-116 Cell Apoptosis through Mitochondrial Dysfunction and Oxidative Stress Pathway. 39563794 From Virtual Screens to Cellular Target Engagement: New Small Molecule Ligands for the Immune Checkpoint LAG-3. 39563797 Pyrazolopyridine and Triazolopyridine Derivatives as DGAT2 Inhibitors for Treating Multiple Diseases. 39563798 Novel Indazole Compounds as PKMYT1 Kinase Inhibitors for Treating Cancer. 39563799 Exploring the Polypharmacological Potential of PCI-27483: A Selective Inhibitor of Carbonic Anhydrases IX and XII. 39563800 Novel Phenylpiperidine Derivatives as QPCT and QPCTL Inhibitors for Treating Cancer or Fibrotic Diseases. 39563803 Novel Papain-Like Protease Inhibitors for Treating Viral Infections, in Particular Coronavirus Infections. 39563804 Discovery of PARP1-Sparing Inhibitors for Protein ADP-Ribosylation. 39563805 Discovery of IRAK1/4/pan-FLT3 Kinase Inhibitors as Treatments for Acute Myeloid Leukemia. 39563807 Novel Plasma Kallikrein Inhibitors for Treating Multiple Diseases. 39563808 Design, Synthesis, and Biological Evaluation of 3-Amino-pyrazine-2-carboxamide Derivatives as Novel FGFR Inhibitors. 39563809 Toward Dual Targeting of Catalytic and Gatekeeper Pockets in Cyclophilins Using a Macrocyclic Scaffold. 39563811 Peptide Aldehydes Incorporating Thiazol-4-yl Alanine Are Potent In Vitro Inhibitors of SARS-CoV-2 Main Protease. 39563813 Development of BODIPY FL SNS 032 as a Versatile Probe for Constitutive Androstane Receptor and Multiple Kinases. 39563815 In Vivo-Active Soluble Epoxide Hydrolase-Targeting PROTACs with Improved Potency and Stability. 39563820 New Structural Features of Isatin Dihydrothiazole Hybrids for Selective Carbonic Anhydrase Inhibitors. 39563821 Design, Synthesis, and Biological Evaluation of a Series of Spiro Analogues as Novel HPK1 Inhibitors. 39563824 Novel Substituted Benzimidazole Compounds as TLR9 Inhibitors for Treating Fibrotic Diseases, Particularly Idiopathic Pulmonary Fibrosis. 39563828 Synthesis and Preclinical Evaluation of a Bispecific PSMA-617/RM2 Heterodimer Targeting Prostate Cancer. 39563830 Novel Aminopyrazole Inhibitors of PDE11A for the Treatment of Alzheimer's Disease and Other Types of Dementia. 39563832 Bicyclic Inhibitors of Branched-Chain α-Keto Acid Dehydrogenase Kinase (BDK) with In Vivo Activity. 39565354 Discovery of Potent Kappa Opioid Receptor Agonists Derived from Akuammicine. 39566243 Discovery of a novel, selective CK2 inhibitor class with an unusual basic scaffold. 39566244 Structure-activity relationship studies of Imidazo[1',2':1,6]pyrido[2,3-d]pyrimidine derivatives to develop selective FGFR inhibitors as anticancer agents for FGF19-overexpressed hepatocellular carcinoma. 39568139 Development of a Fluorescence Probe for High-Throughput Screening of Allosteric Inhibitors Targeting TRAP1. 39568362 Engineering of Novel Analogues That Are More Receptor-Selective and Potent than the Native Hormone, Insulin-like Peptide 5 (INSL5). 39570661 Discovery of GS-2278, a Potent and Selective LPAR1 Antagonist for the Treatment of Idiopathic Pulmonary Fibrosis. 39570797 Discovery of Potent, Highly Selective, and Efficacious SMARCA2 Degraders. 39571073 Discovery of Pyrazolo[1,5,4-de]quinoxalin-2(3H)-one Derivatives as Highly Potent and Selective PARP1 Inhibitors. 39571458 TRPM8 and TRPA1 ideal targets for treating cold-induced pain. 39571459 Optimization of SHP2 allosteric inhibitors with novel tail heterocycles and their potential as antitumor therapeutics. 39571460 Synthesis, biological evaluation and mechanism study of a novel indole-pyridine chalcone derivative as antiproliferative agent against tumor cells through dual targeting tubulin and HK2. 39571461 Discovery and structure-activity relationship study of nicotinamide derivatives as DNA demethylase ALKBH2 inhibitors. 39572012 Covalent Inhibitors of KEAP1 with Exquisite Selectivity. 39572889 Discovery of (2R,4R)-4-((S)-2-Amino-3-methylbutanamido)-2-(4-boronobutyl)pyrrolidine-2-carboxylic Acid (AZD0011), an Actively Transported Prodrug of a Potent Arginase Inhibitor to Treat Cancer. 39574318 Discovery of NP3-253, a Potent Brain Penetrant Inhibitor of the NLRP3 Inflammasome. 39575679 The Discovery and Preclinical Profile of ALG-000184, a Prodrug of the Potent Hepatitis B Virus Capsid Assembly Modulator ALG-001075. 39575863 Discovery of Dual CDK6/BRD4 Inhibitor Inducing Apoptosis and Increasing the Sensitivity of Ferroptosis in Triple-Negative Breast Cancer. 39577230 Discovery of a potent anticancer agent against pancreatic ductal adenocarcinoma targeting FAK with DFG-out state and JAK/Aurora kinases. 39577296 Use of imidazo[1,5-a]quinoline scaffold as the pharmacophore in the design of bivalent ligands of central benzodiazepine receptors. 39580003 Synthesis and Structure-Activity Relationship of Covalent Inhibitors of SARS-CoV-2 Papain-Like Protease with Antiviral Potency. 39580005 Discovery of novel cyclopentane carboxylic acids as potent and selective inhibitors of NaV1.7. 39580911 Discovery of novel KSP-targeting PROTACs with potent antitumor effects in vitro and in vivo. 39580912 Design, synthesis, and biological evaluation of novel highly potent FXR agonists bearing piperidine scaffold. 39580913 Discovery of potent and selective factor XIa inhibitors incorporating triazole-based benzoic acid as novel P2' fragments: Molecular dynamics simulations and anticoagulant activity. 39580914 Novel potent SOS1 inhibitors containing a tricyclic quinazoline scaffold: A joint view of experiments and simulations. 39585895 Discovery of ERD-12310A as an Exceptionally Potent and Orally Efficacious PROTAC Degrader of Estrogen Receptor α (ERα). 39585942 Discovery of Pyridine-2-Carboxamides Derivatives as Potent and Selective HPK1 Inhibitors for the Treatment of Cancer. 39589152 Comprehensive Insights into the Development of Antitoxoplasmosis Drugs: Current Advances, Obstacles, and Future Perspectives. 39591507 Development of Potent and Selective Inhibitors of Methylenetetrahydrofolate Dehydrogenase 2 for Targeting Acute Myeloid Leukemia: SAR, Structural Insights, and Biological Characterization. 39591850 Design, synthesis and biological evaluation of biaryl amide derivatives as modulators of multi-drug resistance. 39591851 Comprehensive exploration of isocitrate dehydrogenase (IDH) mutations: Tumorigenesis, drug discovery, and covalent inhibitor advances. 39591875 Alkaloids from Mackinlaya species and synthetic mackinazolinone derivatives: An overview. 39601022 Medicinal chemistry-based perspectives on thiophene and its derivatives: exploring structural insights to discover plausible druggable leads. 39602227 Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors. 39602240 Deciphering the Therapeutic Potential of Novel Pentyloxyamide-Based Class I, IIb HDAC Inhibitors against Therapy-Resistant Leukemia. 39602994 Identification of inhibitors targeting the FLT3-ITD mutation through 4D-QSAR, in vitro, and in silico. 39605166 Proline Analogues in Drug Design: Current Trends and Future Prospects. 39608205 Design and functional studies of xylene-based cyclic mimetics of SOCS1 protein. 39608686 Discovery of a selective and potent inhibitor of c-Jun N-terminal kinase 1 with anti-pulmonary fibrosis effect. 39610216 Discovery of Thiochroman Derivatives as Potent, Oral Selective Estrogen Receptor Degraders and Antagonists for the Treatment of Endocrine-Resistant Breast Cancer. 39611350 Discovery of Novel N-Sulfonamide-tetrahydroquinolines as Potent Retinoic Acid Receptor-Related Orphan Receptor γt (RORγt) Inverse Agonists for the Treatment of Psoriasis. 39612769 Stereoisomers of cannabidiols and their pharmacological activities - A potentially novel direction for cannabinoids. 39612770 Discovery of a potent and selective TRPC3 antagonist with neuroprotective effects. 39615371 PRMT7 in cancer: Structure, effects, and therapeutic potentials. 39621435 4-Substituted-2-Thiazole Amides as Viral Replication Inhibitors of Alphaviruses. 39622054 Novel Benzimidazole Derivatives as Potent Inhibitors of Microsomal Prostaglandin E2 Synthase 1 for the Potential Treatment of Inflammation, Pain, and Fever. 39626019 Tilting the Scales toward EGFR Mutant Selectivity: Expanding the Scope of Bivalent "Type V" Kinase Inhibitors. 39626521 Discovery and optimization of tetrahydroacridine derivatives as a novel class of antibiotics against multidrug-resistant Gram-positive pathogens by targeting type I signal peptidase and disrupting bacterial membrane. 39630561 Engineered Cyclotide Blocks Neuronal Excitotoxicity. 39630604 Discovery of ART0380, a Potent and Selective ATR Kinase Inhibitor Undergoing Phase 2 Clinical Studies for the Treatment of Advanced or Metastatic Solid Cancers. 39630953 Optimization and Biological Evaluation of Novel 1H-Pyrrolo[2,3-c]pyridin Derivatives as Potent and Reversible Lysine Specific Demethylase 1 Inhibitors for the Treatment of Acute Myelogenous Leukemia. 39631099 Development of dual V1a/V2 antagonists containing triazolobenzazepine scaffold. 39631473 Synthesis and evaluation of enzyme inhibition by novel TT01001 derivatives as monoamine oxidase B inhibitors. 39631827 Structure-Guided Discovery of Subtype Selective SIRT6 Inhibitors with a β-Carboline Skeleton for the Treatment of Breast Cancer. 39635544 Design and synthesis of novel cathepsin C inhibitors with anti-inflammatory activity. 39636241 Discovery and Optimization of Dihydroquinolin-2(1H)-ones as Novel Highly Selective and Orally Bioavailable Phosphodiesterase 5 Inhibitors for the Treatment of Pulmonary Arterial Hypertension. 39637404 Selectively Antagonizing the NOD1-Mediated Inflammatory Signaling Pathway Mitigates the Gastric Inflammation Induced by Helicobacter pylori Infection. 39637829 Diastereoselective synthesis and biological evaluation of new fluorine-containing α-aminophosphonates as anticancer agents and scaffold to human urokinase plasminogen activator inhibitors. 39638156 Identification of N-phenyl-N-(quinolin-4-yl) amino carboxylic acids as URAT1 inhibitors with hypouricemic effects. 39641249 Discovery of MT-7117 (Dersimelagon Phosphoric Acid): A Novel, Potent, Selective, and Nonpeptidic Orally Available Melanocortin 1 Receptor Agonist. 39641779 Structure-Based Discovery of a Series of Covalent, Orally Bioavailable, and Selective BFL1 Inhibitors. 39642579 Potential COX-2 inhibitors modulating NF-κB/MAPK signaling pathways: Design, synthesis and evaluation of anti-inflammatory activity of Pterostilbene-carboxylic acid derivatives with an oxime ether moiety. 39642691 High potency 3-carboxy-2-methylbenzofuran pendrin inhibitors as novel diuretics. 39642692 Designed and synthesized novel tripeptides targeting diabetes and its related pathologies. 39642694 Synthesis of 1-Hydroxy(and 1-Alkoxy, 1-Acyloxy)-1H-indoles and evaluations of their suppressive activities against tumor growth through inhibiting lactate dehydrogenase A. 39643018 Identification of peptide-based hepatitis B virus capsid inhibitors based on the viral core protein. 39644238 Elaborate Structural Modifications Yielding Novel Boron-Containing N-Substituted Oseltamivir Derivatives as Potent Neuraminidase Inhibitors with Significantly Improved Broad-Spectrum Antiresistance Profiles. 39644263 Discovery of Novel MyD88 Inhibitor A5S to Alleviate Acute Lung Injury with Favorable Drug-like Properties. 39644938 Development and characterization of pyridyl carboxamides as potent and highly selective Nav1.8 inhibitors. 39647417 Discovery of novel biaryl urea derivatives against IL-1β release with low toxicity based on NEK7 inhibitor. 39648929 Targeting HMGB1 and Its Interaction with Receptors: Challenges and Future Directions. 39648992 Modulating Phosphorylation by Proximity-Inducing Modalities for Cancer Therapy. 39651809 Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer. 39653621 Small molecule inhibitors targeting PD-L1, CTLA4, VISTA, TIM-3, and LAG3 for cancer immunotherapy (2020-2024). 39653622 Nanomolar activity of coumarin-3-thiosemicarbazones targeting Trypanosoma cruzi cruzain and the T. brucei cathepsin L-like protease. 39655856 Synthesis and Evaluation of 9-epi-Koshidacin B as Selective Inhibitor of Histone Deacetylase 1. 39655996 Discovery of 6-Fluoro-5-{4-[(5-fluoro-2-methyl-3-oxo-3,4-dihydroquinoxalin-6-yl)methyl]piperazin-1-yl}-N-methylpyridine-2-carboxamide (AZD9574): A CNS-Penetrant, PARP1-Selective Inhibitor. 39656022 Constrained β-Hairpins Targeting the EphA4 Ligand Binding Domain. 39657459 Synthesis of novel deuterated EGFR/ALK dual-target inhibitors and their activity against non-small cell lung cancer. 39657460 Design and synthesis of novel benzoic acid derivatives as striatal-enriched protein tyrosine phosphatase (STEP) inhibitors with neuroprotective properties. 39658523 Redesigning Berberines and Sanguinarines to Target Soluble Epoxide Hydrolase for Enhanced Anti-Inflammatory Efficacy. 39662285 Tyrosine kinase 2 inhibitors: Synthesis and applications in the treatment of autoimmune diseases. 39662286 Discovery, synthesis, and antibacterial activity of novel myrtucommulone analogs as inhibitors of DNA gyrase and topoisomerase IV. 39662707 Design and synthesis of N-(3-cyanothiophen-2-yl)-2-phenoxyacetamide-based α-glucosidase inhibitors. 39665415 Discovery of VU6024578/BI02982816: An mGlu1 Positive Allosteric Modulator with Efficacy in Preclinical Antipsychotic and Cognition Models. 39666597 Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using an In Silico Enabled Drug Discovery Platform. 39667052 Discovery of novel hybrid tryptamine-rivastigmine molecules as potent AChE and BChE inhibitors exhibiting multifunctional properties for the management of Alzheimer's disease. 39667507 Classifying covalent protein binders by their targeted binding site. 39668131 Development and Characterization of a High-Affinity Selective Galectin-3 Mouse Tool Compound in Mouse Models of Cancer. 39671732 Design, synthesis and biological evaluation of new SIRT3 activators for the treatment of triple-negative breast cancer. 39671877 Discovery of 22(S)-23-phenyl-24-norchol-5-en-3β,22-diol (PFM046) as the first-in-class, steroidal, non-sulfated Liver X Receptor antagonist with anticancer activity. 39673862 Synthesis and mechanistic studies of 4-aminoquinoline-Isatin molecular hybrids and Schiff's bases as promising antimicrobial agents. 39673864 Design, synthesis, and evaluation of novel benzofuran and pyrazole-based derivatives as dual AChE/BuChE inhibitors with antioxidant properties for Alzheimer's disease management. 39674381 Development of 3-indolyl substituted phenyl pyrazolo-carboxamide hybrids as potential type II VEGFR-2 inhibitors and in vitro cytotoxicity studies. 39680630 Discovery of N-Phenyl-5-propyl-1H-pyrazole-3-carboxamide, with Selective Inhibition and Degradation of HDAC6 for the Treatment of Acute Liver Injury. 39680643 Structure-Based Development of Novel Spiro-Piperidine ASH1L Inhibitors. 39681043 Catalytic Lysine745 targeting strategy in fourth-generation EGFR tyrosine kinase inhibitors to address C797S mutation resistance. 39681169 Design and evaluation of anaplastic lymphoma kinase degraders using a covalent fumarate handle. 39681301 Design, Synthesis, and Biochemical Evaluation of Novel MLK3 Inhibitors: A Target Hopping Example. 39688565 Modulating the Potency of BRD4 PROTACs at the Systems Level with Amine-Acid Coupling Reactions. 39691509 4-Oxo-β-lactams as Covalent Inhibitors of the Mitochondrial Intramembrane Protease PARL. 39691510 Structural Aspects of Mycobacterium tuberculosis DNA Gyrase Targeted by Novel Bacterial Topoisomerase Inhibitors. 39691512 Pyrrolidines as Main Protease Inhibitors for Treating Viral Infections, in Particular, Coronavirus Infections. 39691514 Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization. 39691515 Heteroaryl Glutarimides and Dihydrouracils as Cereblon Ligand Scaffolds for Molecular Glue Degrader Discovery. 39691516 Advances in Psychedelic Therapeutics: Novel Prodrugs and Derivatives for Enhanced Mental Health Treatment. 39691520 Furan- and Furopyrimidine-Based Derivatives: Synthesis, VEGFR-2 Inhibition, and In Vitro Cytotoxicity. 39691522 Discovery of 4-(5-Membered)Heteroarylether-6-methylpicolinamide Negative Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5. 39691524 The Antiepileptic Drug Levetiracetam Inhibits Carbonic Anhydrase: In Vitro and In Silico Studies on Catalytically Active Human Isoforms. 39691526 Synthesis and Evaluation of Halogenated Pralidoximes in Reactivation of Organophosphate-Inhibited Cholinesterases. 39691530 Novel Aryl Hydrocarbon Receptor Agonists for Treating Psoriasis and Atopic Dermatitis. 39691533 Potential Therapeutic Benefit of the Selective Inhibitors of Casitas B Cell Lymphoma-b (CBL-B) in Cancer Immunotherapy. 39693386 Impact of Linker Composition on VHL PROTAC Cell Permeability. 39693602 Identification of an Isoxazole Derivative as an Antitubercular Compound for Targeting the FadD Enzymes of Mycobacterium tuberculosis. 39693863 Structure-activity relationship studies and design of a PTPN22 inhibitor with enhanced isozyme selectivity and cellular efficacy. 39694339 Docking and structure activity relationship studies of potent and selective thiazolidinethione GSK-3 inhibitors. 39697243 Distinctive roles of aquaporins and novel therapeutic opportunities against cancer. 39697245 Novel rhodanine-thiazole hybrids as potential antidiabetic agents: a structure-based drug design approach. 39699074 Fluorinated Coumarin Derivatives as Selective PET Tracer for MAO-B Imaging. 39699557 Design, Synthesis, and Biological Evaluation of 2-Arylaminopyrimidine Derivatives as Dual Cathepsin L and JAK Inhibitors for the Treatment of Acute Lung Injury. 39700339 Identification of Novel Human 15-Lipoxygenase-2 (h15-LOX-2) Inhibitors Using a Virtual Screening Approach. 39700873 The potential of MAO inhibitors as chemotherapeutics in cancer: A literature survey. 39704626 Minimalist Natural ORPphilin Macarangin B Delineates OSBP Biological Function. 39705161 Identification of Novel Organo-Se BTSA-Based Derivatives as Potent, Reversible, and Selective PPARγ Covalent Modulators for Antidiabetic Drug Discovery. 39705732 Discovery of pyridine-based derivatives as FLT3 inhibitors for the treatment of acute myeloid leukemia. 39705734 Design, synthesis and biological evaluation of new H2S-releasing rivastigmine derivatives as neuroprotective molecules. 39705735 Discovery of SET domain-binding primary alkylamine-tethered degraders for the simultaneous degradation of NSD2-long and RE-IIBP isoforms. 39707149 F-CPI: A Multimodal Deep Learning Approach for Predicting Compound Bioactivity Changes Induced by Fluorine Substitution. 39708765 Design and synthesis of novel 3,7-dihydro-1H-purine-2,6-diones as DPP-4 inhibitors: An in silico, in vitro and in vivo approach. 39708767 Discovery and biological evaluation of potent 2-trifluoromethyl acrylamide warhead-containing inhibitors of protein disulfide isomerase. 39708769 Chemical dissection of selective myeloid leukemia-1 inhibitors: How they were found and evolved. 39708770 Dihydrofolate reductase inhibitory potential of 1H-indole-based-meldrum linked 1H-1,2,3-triazoles as new anticancer derivatives: In-vitro and in-silico studies. 39708924 Diamino variants of piperazine-based tissue transglutaminase inhibitors. 39708925 Discovery of 3-amide-pyrimidine-based derivatives as potential fms-like tyrosine receptor kinase 3 (FLT3) inhibitors for treating acute myelogenous leukemia. 39710971 Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention. 39711116 Discovery of MDI-114215: A Potent and Selective LIMK Inhibitor To Treat Fragile X Syndrome. 39711508 The Discovery of a Novel AXL/Triple Angiokinase Inhibitor Based on 6-Chloro-Substituted Indolinone and Side Chain Methyl Substitution Inhibiting Pancreatic Cancer Growth and Metastasis. 39713483 3-Thio-3,4,5-trisubstituted-1,2,4-triazoles: high affinity somatostatin receptor-4 agonist synthesis and structure-activity relationships. 39714730 Discovery of an Orally Efficacious Pyrazolo[3,4-d]pyrimidine Benzoxaborole as a Potent Inhibitor of Cryptosporidium. 39720950 Discovery of Novel 4,5,6,7-Tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one Derivatives as Orally Efficacious ATX Allosteric Inhibitors for the Treatment of Pulmonary Fibrosis. 39721086 Discovery of the first examples of right open reading frame kinase 2 (RIOK2) molecular glue degraders. 39722476 Design, Synthesis, and Biological Evaluation of 3,4-Dihydroisoquinolin-1(2H)-one Derivatives as Protein Arginine Methyltransferase 5 Inhibitors for the Treatment of Non-Hodgkin's Lymphoma. 39722648 Design, Synthesis, and Antitumor Activity Evaluation of 2-Phenylthiazole-5-Carboxylic Acid Derivatives Targeting Transactivation Response RNA-Binding Protein 2. 39723587 The Potential of PARP Inhibitors as Antitumor Drugs and the Perspective of Molecular Design. 39723903 Probing the Histamine H1 Receptor Binding Site to Explore Ligand Binding Kinetics. 39723919 Targeting Oncogenic RET Kinase by Simultaneously Inhibiting Kinase Activity and Degrading the Protein. 39724725 Advances in the selective c-MET kinase inhibitors: Application of fused [5,6]-Bicyclic nitrogen-containing cores for anticancer drug design. 39724727 From challenges to solutions: A review of fourth-generation EGFR tyrosine kinase inhibitors to overcome the C797S triple mutation in non-small cell lung cancer. 39726379 A Collection of Novel Antitumor Agents That Regulate Lipid Metabolism in the Tumor Microenvironment. 39729064 Development and Discovery of a Selective Degrader of Casein Kinases 1 δ/ε. 39730310 Semisynthesis of Nocarterphenyl A and Its Analogues. 39731560 Novel PD-L1/VISTA Dual Inhibitor as Potential Immunotherapy Agents. 39731581 Discovery of an Efficacious RET PROTAC Degrader with Enhanced Antiproliferative Activity against Resistant Cancer Cells Harboring RET Solvent-Front Mutations. 39731791 Discovery of novel bicyclic and tricyclic cyclohepta[b]thiophene derivatives as multipotent AChE and BChE inhibitors, in-Vivo and in-Vitro assays, ADMET and molecular docking simulation. 39733482 Design, synthesis, and pharmacological evaluation of triazine-based PI3K/mTOR inhibitors for the potential treatment of non-small cell lung cancer. 39733483 Design, synthesis, and biological evaluation of Ponatinib-based N-Phenylpyrimidine-2-amine derivatives as novel fibroblast growth factor receptor 4 (FGFR4) selective inhibitors. 39733484 Design, synthesis and biological evaluation of galantamine analogues for cognitive improvement in Alzheimer's disease. 39736199 Recent advances in developing targeted protein degraders. 39740072 Current and Emerging Approaches Targeting G9a for the Treatment of Various Diseases. 39740322 Discovery of the salicylaldehyde-based compound DDO-02267 as a lysine-targeting covalent inhibitor of ALKBH5. 39740323 Marine natural product-inspired discovery of novel BRD4 inhibitors with anti-inflammatory activity. 39740572 Synthesis and in vitro evaluation of novel compounds and discovery of a promising iodine-125 radioligand for purinergic P2X7 receptor (P2X7R). 39742458 In Pursuit of Lead Innovation: Pharmaceutically Important and Distinct Amide-Free Succinate Dehydrogenase Inhibitors. 39742699 Identification of a selective pyruvate dehydrogenase kinase 1 (PDHK1) chemical probe by virtual screening. 39742858 Synthetic glycol-split heparin tri- and tetrasaccharides provide new insights into structural peculiarities for antiheparanase activity. 39745064 Discovery of High-Affinity SMARCA2/4 Bromodomain Ligands and Development of Potent and Exceptionally Selective SMARCA2 PROTAC Degraders. 39745073 Discovery of SMD-3236: A Potent, Highly Selective and Efficacious SMARCA2 Degrader for the Treatment of SMARC4-Deficient Human Cancers. 39745197 G9a/GLP Modulators: Inhibitors to Degraders. 39745279 TarIKGC: A Target Identification Tool Using Semantics-Enhanced Knowledge Graph Completion with Application to CDK2 Inhibitor Discovery. 39746038 Targeting QPCTL: An Emerging Therapeutic Opportunity. 39746141 Recent Progress in the Development of Glucose Transporter (GLUT) Inhibitors. 39746269 Exploring the antiproliferative and proapoptotic activities of new pyridopyrimidine derivatives and their analogs. 39746330 Discovery of a Potent and Selective GSPT1 Molecular Glue Degrader for the Treatment of Castration-Resistant Prostate Cancer. 39749716 Novel Orthosteric/Allosteric Ligands of Cannabinoid Receptors: An Unexpected Pharmacological Profile. 39754579 Elucidating Binding Selectivity in Cyclin-Dependent Kinases 4, 6, and 9: Development of Highly Potent and Selective CDK4/9 Inhibitors. 39754582 Lanosterol 14α-Demethylase (CYP51)/Heat Shock Protein 90 (Hsp90) Dual Inhibitors for the Treatment of Invasive Candidiasis. 39756145 Innovative design and potential applications of covalent strategy in drug discovery. 39756345 De novo discovery of cyclic peptide inhibitors of IL-11 signaling. 39757466 In Search for Inhibitors of Human Aldo-Keto Reductase 1B10 (AKR1B10) as Novel Agents to Fight Cancer and Chemoresistance: Current State-of-the-Art and Prospects. 39757828 Subtle Structural Modifications Spanning from EP4 Antagonism to EP2/EP4 Dual Antagonism: A Novel Class of Thienocyclic-Based Derivatives. 39760203 Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection. 39760275 Synthesis and Biological Evaluation of Peripheral HTR2A Antagonists for Colorectal Cancer. 39760276 Discovery of Potent and Selective CDK4/6 Inhibitors for the Treatment of Chemotherapy-Induced Myelosuppression. 39760448 Discovery of 2(1H)-Quinoxalinone Derivatives as Potent and Selective MAT2A Inhibitors for the Treatment of MTAP-Deficient Cancers. 39761118 Fragment-to-Lead Medicinal Chemistry Publications in 2023. 39761163 Repurposing of Agrochemicals as ATTRv Amyloidosis Inhibitors. 39761381 Targeting KAT6A/B as a New Therapeutic Strategy for Cancer Therapy. 39762193 Interleukin-1 Receptor-Associated Kinase 4 (IRAK4) Degraders for Treating Inflammatory Diseases: Advances and Prospects. 39764864 Fine-tuning probes for fluorescence polarization binding assays of bivalent ligands against polo-like kinase 1 using full-length protein. 39764880 Discovery of 4,5-dihydro-benzo[g]indazole-based hydroxamic acids as HDAC3/BRD4 dual inhibitors and anti-tumor agents. 39764881 Design, synthesis, and biological evaluation of a potent and orally bioavailable FGFRs inhibitor for fibrotic treatment. 39772466 Design, Synthesis, and Biological Evaluation of 1,3,4-Thiadiazole Derivatives as Novel Potent Peptide Deformylase Inhibitors for Combating Drug-Resistant Gram-Positive and -Negative Bacteria. 39772543 Structure-Guided Discovery of Novel N4-(Substituted Thiazol-2-yl)-N2-(4-Substituted phenyl)pyrimidine-2,4-Diamines as Potent CDK2 and CDK9 Dual Inhibitors with High Oral Bioavailability. 39772547 Discovery of a Selective and Orally Bioavailable RET Degrader with Effectiveness in Various Mutations. 39772605 Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor. 39777289 Novel sigma 1-antagonists with cis-(+)-normetazocine scaffold: synthesis, molecular modeling, and antinociceptive effect. 39778327 Design, synthesis and biological evaluation of novel 1H-indole-3-carbonitrile derivatives as potent TRK Inhibitors. 39778753 Structure guided modification of 2-chloro-5-(ethyl-phenyl-sulfamoyl)-N-[2-(2-oxo-pyrrolidin-1-yl)-phenyl]-benzamide to afford selective inhibitors of Cryptosporidium parvum N-myristoyltransferase. 39780505 Phenotype-Led Identification of IL-10 Upregulators in Human CD4+ T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors. 39787362 Discovery of Potent, Highly Selective, and Orally Bioavailable MTA Cooperative PRMT5 Inhibitors with Robust In Vivo Antitumor Activity. 39788061 Overview of the epigenetic/cytotoxic dual-target inhibitors for cancer therapy. 39788062 Targeting JNK3 for Alzheimer's disease: Design and synthesis of novel inhibitors with aryl group diversity utilizing wide pocket. 39788064 Design, synthesis and biological evaluation of bisnoralcohol derivatives as novel IRF4 inhibitors for the treatment of multiple myeloma. 39789975 Design, Synthesis, and Pharmacodynamic Evaluation of Highly Selective PARP1 Inhibitors with Brain Penetrance. 39792778 Discovery of Novel Small-Molecule Inhibitors Disrupting the MTDH-SND1 Protein-Protein Interaction. 39793401 Aspirin-based PROTACs as COX-2 degraders for anti-inflammation. 39793442 Discovery of new inhibitors of nuclease MRE11. 39793971 Novel 3-Sulfonamide Dual-Tail Pyrrol-2-one Bridged Molecules as Potent Human Carbonic Anhydrase Isoform Inhibitors: Design, Synthesis, Molecular Modeling Investigation, and Anticancer Activity in MeWo, SK-BR-3, and MG-63 Cell Lines. 39798399 Development of molecular Trojan horses targeting New Delhi metallo-β-lactamase-1 for the restoration of meropenem susceptibility in drug-resistant bacteria. 39798400 Synthesis and biological evaluation of novel pyrrolo[2,3-b]pyridine derivatives as potent GSK-3β inhibitors for treating Alzheimer's disease. 39798402 Chiral recognition of CIAC001 isomers in regulating pyruvate kinase M2 and mitigating neuroinflammation. 39798856 Applications of innovative synthetic strategies in anticancer drug discovery: The driving force of new chemical reactions. 39799720 Progress in the study of anti-Alzheimer's disease activity of pyrimidine-containing bioactive molecules. 39801091 Discovery of FHD-286, a First-in-Class, Orally Bioavailable, Allosteric Dual Inhibitor of the Brahma Homologue (BRM) and Brahma-Related Gene 1 (BRG1) ATPase Activity for the Treatment of SWItch/Sucrose Non-Fermentable (SWI/SNF) Dependent Cancers. 39803894 Identification of a Chemical Probe for BLT2 Activation by Scaffold Hopping. 39804031 Selective Degradation of TEADs by a PROTAC Molecule Exhibited Robust Anticancer Efficacy In Vitro and In Vivo. 39804067 Discovery of WDR5-MLL1 and HDAC Dual-Target Inhibitors for the Treatment of Acute Myeloid Leukemia. 39804678 Development of the First-in-Class FEM1B-Recruiting Histone Deacetylase Degraders. 39805099 Naphtho[1,2-b][1,4]diazepinedione-Based P2X4 Receptor Antagonists from Structure-Activity Relationship Studies toward PET Tracer Development. 39806871 UBE2N: Hope on the Cancer Front, How to Inhibit This Promising Target Prospect? 39808706 Design, Synthesis, and Pharmacological Evaluation of Nonsteroidal Tricyclic Ligands as Modulators of GABAA Receptors. 39808731 Design and Synthesis of Topoisomerases-Histone Deacetylase Dual Targeted Quinoline-Bridged Hydroxamates as Anticancer Agents. 39808894 Modeling, synthesis and cell-based evaluation of pyridine-substituted analogs of CD3254 and fluorinated analogs of CBt-PMN as novel therapeutics. 39808974 Discovery of a highly potent, selective, and stable d-amino acid-containing peptide inhibitor of CDK9/cyclin T1 interaction for the treatment of prostate cancer. 39811115 Pyrrolopyrazine Compounds as ERK5 Inhibitors for Treating Cancer. 39811116 Discovery of a Potent Triazole-Based Reversible Targeted Covalent Inhibitor of Cruzipain. 39811117 Development of a Buchwald-Hartwig Amination for an Accelerated Library Synthesis of Cereblon Binders. 39811121 Structure-Based Design of Novel TLR7/8 Agonist Payloads Enabling an Immunomodulatory Conjugate Approach. 39811123 Discovery of a Phosphodiesterase 7A Inhibitor of High Isozyme Selectivity Exhibiting In Vivo Anti-Osteoporotic Effects. 39811124 Novel Bicyclic Heterocyclic Compounds as CD73 Inhibitors for Treating Cancer. 39811125 Novel Approaches in Biotechnology: Microbial Genetic Modifications and Metabolic Disease Therapies. 39811127 Synthesis and Biological Evaluation of 5'-Deoxy-adenosine Derivatives as A3 Adenosine Receptor Ligands. 39811128 Sialyl Lewisx Glycomimetics as E- and P-Selectin Antagonists Targeting Hyperinflammation. 39811131 Discovery of Novel Pyrimidine Derivatives as Human Pin1 Covalent Inhibitors. 39811132 Optimizing Linezolid: Transforming It into a Selective MAO-B Inhibitor via a Toxicity-to-Activity Optimization Approach. 39811134 Tetrazole Is a Novel Zinc Binder Chemotype for Carbonic Anhydrase Inhibition. 39811138 Novel TYK2 Inhibitors for Treating Autoimmune and Inflammatory Diseases. 39811140 Expanding the Chemical Space of Reverse Fosmidomycin Analogs. 39811141 Second-Generation Cap Analogue Prodrugs for Targeting Aberrant Eukaryotic Translation Initiation Factor 4E Activity in Cancer. 39811142 Novel 3-Pyrrolidineindole Derivatives as Serotonergic Psychedelic Agents for Treating Psychosis and Mental Illnesses Such as Depression and Post-Traumatic Stress Disorder. 39811943 An Unexpected Activity of a Minor Cannabinoid: Cannabicyclol (CBL) Is a Potent Positive Allosteric Modulator of Serotonin 5-HT1A Receptor. 39813204 Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and Its Variants Displaying Potent Antiviral Activity. 39813774 The polypharmacy combination of the BCL-2 inhibitor venetoclax (VEN) and the FLT3 inhibitor gilteritinib (GIL) is more active in acute myeloid leukemia cells than novel polypharmacologic BCL-2/FLT3 VEN-GIL hybrid single-molecule inhibitors. 39813776 Structure-based discovery of novel diarylpyrimidines as potent and selective Non-Nucleoside reverse transcriptase inhibitors: From CH(CN)-Biphenyl-Diarylpyrimidines to CNNH2-Biphenyl-Diarylpyrimidines. 39814085 Disrupted target binding with acryloyl group as potential Bcr-Abl/C-Src dual kinase inhibitor optimization strategies with maintained antitumor activity. 39817810 Design and Synthesis of Hederagenin Derivatives for the Treatment of Sepsis by Targeting TAK1 and Regulating the TAK1-NF-κB/MAPK Signaling. 39818011 Synthesis and biological assessment of BUB1B inhibitors for the treatment of clear cell renal cell carcinoma. 39818014 Discovery of CZY43 as a new small-molecule degrader of pseudokinase HER3. 39818772 Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms. 39818802 Novel N-(3-(1-(4-sulfamoylphenyl)triazol-4-yl)phenyl)benzamide Derivatives as Potent Carbonic Anhydrase Inhibitors with Broad-Spectrum Anticancer Activity: Leveraging Tail and Dual-Tail Approaches. 39818855 Network-Based Drug Optimization toward the Treatment of Parkinson's Disease: NRF2, MAO-B, Oxidative Stress, and Chronic Neuroinflammation. 39818964 Discovery of Novel RNA Demethylase FTO Inhibitors Featuring an Acylhydrazone Scaffold with Potent Antileukemia Activity. 39818983 Discovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2). 39823202 Metabolically Stable Adenylation Inhibitors of Biotin Protein Ligase as Antibacterial Agents. 39823806 Synthesis and functional screening of novel inhibitors targeting the HDAC6 zinc finger ubiquitin-binding domain. 39823807 Discovery of novel dual tubulin and MMPs inhibitors for the treatment of lung cancer and overcoming drug resistance. 39823808 Insights into tumor-derived exosome inhibition in cancer therapy. 39823809 Design, synthesis, and antitumor evaluation of triazolopyridine derivatives as novel inhibitors for BRD4. 39824521 Discovery of Selenium-Containing Derivatives as Potent and Orally Bioavailable GLP-1R Agonists. 39826487 Discovery of novel JQ1 derivatives as dual ferroptosis and apoptosis inducers for the treatment of triple-negative breast cancer. 39826489 A novel pyridine-2-one AMPK inhibitor: Discovery, mechanism, and in vivo evaluation in a hypoxic pulmonary arterial hypertension rat model. 39827489 A review of click chemistry in the synthesis of organophosphorus triazoles and their biological activities. 39827490 Design, synthesis, and biological evaluation of imidazolidinone derivatives as potent PPARα/δ agonists for the treatment of cholestatic liver diseases. 39829331 Sulfonium Moieties as Ammonium Bioisosteres: Novel Ligands for the Alpha7 Nicotinic Acetylcholine Receptor. 39832390 Insights into NEK2 inhibitors as antitumor agents: From mechanisms to potential therapeutics. 39832391 Discovery of noncovalent diaminopyrimidine-based Inhibitors for glioblastoma via a dual FAK/DNA targeting strategy. 39832444 An overview of small-molecule agents for the treatment of psoriasis. 39832483 N-Branched Tricyclic Guanidines as Novel Melanocortin-3 Receptor Agonists and Melanocortin-4 Receptor Antagonists. 39835703 Discovery of Novel Spirocyclic MAT2A Inhibitors Demonstrating High In Vivo Efficacy in MTAP-Null Xenograft Models. 39836457 Repurposing Linezolid in Conjunction with Histone Deacetylase Inhibitor Access in the Realm of Glioblastoma Therapies. 39838960 Development of a Second-Generation, In Vivo Chemical Probe for PIKfyve. 39841084 Design, Synthesis, and SAR of Covalent KIT and PDGFRA Inhibitors─Exploring Their Potential in Targeting GIST. 39842821 Effects of Heparan Sulfate Trisaccharide Containing Oleanolic Acid in Attenuating Hyperphosphorylated Tau-Induced Cell Dysfunction Associated with Alzheimer's Disease. 39844725 Structure-Based Rational Design and Evaluation of BET-Aurora Kinase Dual-Inhibitors for Treatment of Cancers. 39847509 Discovery of Novel Hydrazide-Based HDAC3 Inhibitors as Epigenetic Immunomodulators for Cancer Immunotherapy. 39847693 Design, Synthesis, and Evaluation of Selective PDE4 Inhibitors for the Therapy of Pulmonary Injury. 39847708 Design of (R)-3-(5-Thienyl)carboxamido-2-aminopropanoic Acid Derivatives as Novel NMDA Receptor Glycine Site Agonists: Variation in Molecular Geometry to Improve Potency and Augment GluN2 Subunit-Specific Activity. 39848476 Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structural studies of inhibitor-HIV-1 protease complexes. 39848621 Discovery of N-(1,2,4-Thiadiazol-5-yl)benzo[b]oxepine-4-carboxamide Derivatives as Novel Antiresistance Androgen Receptor Antagonists. 39849940 Neuromodulating Alkaloids from Millipede Defensive Secretions. 39850549 Probing structural requirements for thiazole-based mimetics of sunitinib as potent VEGFR-2 inhibitors. 39851255 Discovery of First-in-Class FXR and HSD17B13 Dual Modulator for the Treatment of Metabolic Dysfunction-Associated Fatty Liver Disease. 39853339 Design, Synthesis, and Biological Evaluation of Thieno[3,2-d]pyrimidine Derivatives as the First Bifunctional PI3Kδ Isoform Selective/Bromodomain and Extra-Terminal Inhibitors. 39854244 Semi-Synthesis of Dimeric Cannabidiol Derivatives and Evaluation of their Affinity at Neurological Targets. 39854941 Design, synthesis, and evaluation of carboxylic acid-substituted celecoxib isosteres as potential anti-inflammatory agents. 39854942 Progress in the development of macrophage migration inhibitory factor small-molecule inhibitors. 39855635 Discovery of the First Efficacious Adenosine 2A Receptor Negative Allosteric Modulators for High Adenosine Cancer Immunotherapies. 39864528 Novel tertiary diarylethylamines as functionally selective agonists of the kappa opioid receptor. 39864529 Nucleoside antiviral agents with atypical structures and new targets. 39865664 Unlocking the Therapeutic Potential of Natural Products for Alzheimer's Disease. 39867586 Novel multipotent conjugate bearing tacrine and donepezil motifs with dual cholinergic inhibition and neuroprotective properties targeting Alzheimer's disease. 39868498 Structure-Guided Optimization and Preclinical Evaluation of 6-O-Benzylguanine-Based Pin1 Inhibitor for Hepatocellular Carcinoma Treatment. 39869779 Discovery of Metabolic Reprogramming 2-Quinolones as Effective Antimicrobials for MRSA-Infected Wound Therapy. 39873221 Discovery of Highly Potent and Orally Bioavailable Histone Deacetylase 3 Inhibitors as Immunomodulators and Enhancers of DNA-Damage Response in Cancer Therapy. 39874459 Strategic Mutations in Designer Native Peptides Combat NLRP3 Inflammasome Activation in Neurodegenerative Disorders. 39874539 Structure-Based Virtual Screening Identifies 2-Arylthiazole-4-Carboxylic Acids as a Novel Class of Nanomolar Affinity Ligands for the CaMKIIα Hub Domain. 39874632 Design, synthesis and structure-activity relationship of novel 1,2,4-triazolopyrimidin-5-one derivatives targeting GABAA1 and Nav1.2 with antiepileptic activity. 39874881 Design, Synthesis, and biological evaluation of 7H-Pyrrolo[2,3-d]pyrimidines as potent HPK1 kinase inhibitors. 39875322 Discovery of an Orally Bioavailable STING Inhibitor with In Vivo Anti-Inflammatory Activity in Mice with STING-Mediated Inflammation. 39875337 Design, Structure Optimization, and Preclinical Characterization of JAB-21822, a Covalent Inhibitor of KRASG12C. 39878051 Design, Synthesis and Anti-Inflammatory Evaluation of 3-Substituted 5-Amidobenzoate Derivatives as Novel P2Y14 Receptor Antagonists via Structure-Guided Molecular Hybridization. 39879193 Small Molecule Modulators of AMP-Activated Protein Kinase (AMPK) Activity and Their Potential in Cancer Therapy. 39879936 Design, synthesis and evaluation of (E)-1-(4-(2-(1H-pyrazol-5-yl)vinyl)phenyl) derivatives as next generation selective RET inhibitors overcoming RET solvent front mutations (G810C/R). 39879937 SMARCA2 protein: Structure, function and perspectives of drug design. 39879938 Design, synthesis, and antiviral activity of fragmented-lapatinib aminoquinazoline analogs towards SARS-CoV-2 inhibition. 39880176 A benzoxazolyl urea inhibits VraS and enhances antimicrobials against vancomycin intermediate-resistant Staphylococcus aureus. 39882685 Rational Design, Synthesis, and Biological Evaluation of Novel c-Met Degraders for Lung Cancer Therapy. 39882833 Discovery and Development of CFTR Modulators for the Treatment of Cystic Fibrosis. 39882870 Negative Allosteric Modulators of A2AR: A New Weapon for Cancer Immunotherapy? 39883878 Discovery, Optimization, and Preclinical Pharmacology of EP652, a METTL3 Inhibitor with Efficacy in Liquid and Solid Tumor Models. 39884096 Design and synthesis three novel series of derivatives using natural acetylcholinesterase inhibitor-RLMS as template and in vitro, in vivo and in silico activities verification. 39884957 Development of a Highly Selective Ferroptosis Inducer Targeting GPX4 with 2-Ethynylthiazole-4-carboxamide as Electrophilic Warhead. 39885813 Discovery of Pyrrolopyrazine Carboxamide Derivatives as Potent and Selective FGFR2/3 Inhibitors that Overcome Mutant Resistance. 39889450 Discovery of the first potent ROR1 degrader for the treatment of non-small cell lung cancer. 39889972 Discovery of dual PARP/NAMPT inhibitors for the treatment of BRCA wild-type triple-negative breast cancer. 39892094 Functional and structural polypharmacology of indazole-based privileged ligands to tackle the undruggability of membrane transporters. 39892095 Discovery and preclinical evaluations of drug candidate DA-0157 capable of overcoming EGFR drug-resistant mutation C797S and EGFR/ALK co-mutations. 39892096 Discovery of novel spirocyclic derivates as potent androgen receptor antagonists. 39892337 Identification of Thieno[3,2-d]pyrimidine derivatives as potent and selective Janus Kinase 1 inhibitors. 39895086 Identification of a Potent and Selective CDK9 Degrader as a Targeted Therapeutic Option for the Treatment of Small-Cell Lung Cancer. 39902599 Discovery and Optimization of a Series of Novel Morpholine-Containing USP1 Inhibitors. 39902774 Recent Developments in 14-3-3 Stabilizers for Regulating Protein-Protein Interactions: An Update. 39904196 Discovery of maleimide derivatives as m6A demethylase ALKBH5 inhibitors. 39904718 Targeting the "Undruggable": Small-Molecule Inhibitors of Proliferating Cell Nuclear Antigen (PCNA) in the Spotlight in Cancer Therapy. 39905966 Structure-Activity Relationship Studies of DNA Methyltransferase 1 Monovalent Degraders. 39908297 Switching Roles─Exploring Concentration-Dependent Agonistic versus Antagonistic Behavior of Integrin Ligands. 39908485 Mitophagy in Neurodegenerative Diseases: Mechanisms of Action and the Advances of Drug Discovery. 39908792 Hit to lead optimization of the 4-trifluoromethylquinoline derivatives as novel SGK1 inhibitors with potent anti-prostate cancer activity. 39914141 Optimization of pyrazole/1,2,4-triazole as dual EGFR/COX-2 inhibitors: Design, synthesis, anticancer potential, apoptosis induction and cell cycle analysis. 39914143 Promising thiazolidinedione-thiazole based multi-target and neuroprotective hybrids for Alzheimer's disease: Design, synthesis, in-vitro, in-vivo and in-silico studies. 39914223 Proteolysis targeting chimera of BI-2536 induces potent dual degradation of PLK1 and BET proteins. 39916550 Discovery of New Nanomolar Selective IRAP Inhibitors. 39918442 Property-Based Design of Xanthine Derivatives as Potent and Orally Available TRPC4/5 Inhibitors for Depression and Anxiety. 39919139 A Nurr1 Agonist Derived from the Natural Ligand DHI Induces Neuroprotective Gene Expression. 39919252 MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design. 39919439 Synthesis and evaluation of novel ebselen derivatives as urease inhibitors for combating Helicobacter pylori infections. 39922084 Development of novel BACE1 inhibitors with a hydroxyproline-derived N-amidinopyrrolidine scaffold. 39923533 Discovery of 2,4-quinazolinedione derivatives as LC3B recruiters in the facilitation of protein complex degradations. 39923534 Structure-based design, synthesis and biological evaluation of a novel d-amino acid-containing peptide inhibitor by blocking the RAD51-BRCA2 interaction for the treatment of kidney cancer. 39923558 Identification and optimization of a small molecule inhibitor of the ovarian tumor protease of the Crimean-Congo hemorrhagic fever virus. 39925002 Discovery of a Novel Selective and Cell-Active N6-Methyladenosine RNA Demethylase ALKBH5 Inhibitor. 39928576 Target Identification with Live-Cell Photoaffinity Labeling and Mechanism of Action Elucidation of ARN23765, a Highly Potent CFTR Corrector. 39928839 Discovery and Optimization of Pyrazine Carboxamide AZ3246, a Selective HPK1 Inhibitor. 39929031 Rational design and synthesis of pyrazole derivatives as potential SARS-CoV-2 Mpro inhibitors: An integrated approach merging combinatorial chemistry, molecular docking, and deep learning. 39930787 Identification of Structurally Novel KRASG12C Inhibitors through Covalent DNA-Encoded Library Screening. 39932543 Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity. 39933052 Structural Chemistry of Helicase Inhibition. 39933615 Isolation, synthesis and structure-activity relationships of gallotannin derivatives as cathepsin C inhibitor. 39935096 Harnessing the Magic Methyl Effect: Discovery of CLPP-2068 as a Novel HsClpP Activator for the Treatment of Diffuse Large B-Cell Lymphoma. 39935372 Design, Synthesis, and Activity Evaluation of Novel Bifenamide Dual-Target Antibacterial Inhibitors and Carrier Based on Infectious Microenvironment. 39936476 A Medicinal Chemistry Perspective on Protein Tyrosine Phosphatase Nonreceptor Type 2 in Tumor Immunology. 39937154 Covalent-Allosteric Inhibitors: Do We Get the Best of Both Worlds? 39937529 A Fluorescent Probe Enables the Discovery of Improved Antagonists Targeting the Intracellular Allosteric Site of the Chemokine Receptor CCR7. 39938393 Research progress of flavonoids targeting estrogen receptor in the treatment of breast cancer. 39938409 Structural optimization and characterization of highly potent and selective STAT3 inhibitors for the treatment of triple negative breast cancer. 39938410 Discovery of naphthoquinone-furo-piperidone derivatives as dual targeting agents of STAT3 and NQO1 for the treatment of breast cancer. 39945195 BRF110, an Orally Active Nurr1-RXRα-Selective Rexinoid, Enhances BDNF Expression without Elevating Triglycerides. 39945752 Design of Selective BRD4 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease. 39946350 Rational Design and Optimization of a Potent IDO1 Proteolysis Targeting Chimera (PROTAC). 39946728 Exploring Alternative Zinc-Binding Groups in Histone Deacetylase (HDAC) Inhibitors Uncovers DS-103 as a Potent Ethylhydrazide-Based HDAC Inhibitor with Chemosensitizing Properties. 39946861 Design, synthesis, and biological activity of human glutaminyl cyclase inhibitors against Alzheimer's disease. 39947050 Discovery of 2,4-diaminopyrimidine derivatives as potent inhibitors of FAK capable of activating the Hippo pathway for the treatment of esophageal squamous cell carcinoma. 39947051 From Dyrk1A inhibitors to a novel class of antiviral agents: Targeting Enterovirus EV-A71 with 2-aryl-substituted thiophene scaffolds. 39947053 Identification of the first-in-class dual inhibitor targeting BAG3 and HSP70 proteins to disrupt multiple chaperone pathways. 39947055 Design, synthesis and biological evaluation of dual CDK9/PARP inhibitors for the treatment of cancer. 39947351 Design, synthesis, and biological evaluation of 5'-deoxy (N)-methanocarbanucleoside derivatives as A3 adenosine receptor ligands. 39947888 Discovery of Diphenyl Ether Derivatives as Novel BKCa Channel Activators: Structure-Activity Relationship, Cryo-EM Complex Structures, and In Vivo Animal Studies. 39947929 Rational Design of a Potent, Selective, and Metabolically Stable CDK9 Inhibitor to Counteract Osimertinib Resistance through Mcl-1 Suppression and Enhanced BRD4 Co-Targeting. 39948720 Design, Synthesis, and Biological Evaluation of Novel Orally Available Covalent CDK12/13 Dual Inhibitors for the Treatment of Tumors. 39950600 Discovery of Novel Aromatic Urea-Imidazole Salt Derivatives for Cancer Therapy via Targeting ERK1/2. 39950821 Discovery of Novel Isoxazole-Based Small-Molecule Toll-Like Receptor 8 Antagonists. 39952097 Synthesis and evolution of 16-membered macrolide carrimycin derivatives as a novel class of anti-HCoV-OC43 agents targeting viral FSE RNA. 39952098 D-morphinan analogs with favorable pharmacokinetic profiles as dual-acting antidepressants. 39952100 Synthesis and evaluation of piceatannol derivatives as novel arginase inhibitors with radical scavenging activity and their potential for collagen reduction in dermal fibroblasts. 39953991 Design, Synthesis, and Mechanism Study of Novel BMX Inhibitors Based on the Core of 1,3,5-Triazin-2-Amine for the Treatment of Gastric Carcinoma. 39954610 Fatty acid conjugated BimBH3 analogues with d‑amino acid substitution as PTPN1 inhibitors with enhanced activity, biostability and orally available potency for the treatment of diabetes. 39955801 Thienopyrimidine: A promising scaffold in the development of kinase inhibitors with anticancer activities. 39955802 Ligustrazine as a multitarget scaffold in drug design and discovery. 39955845 Discovery of novel imidazo[1,2-b]pyridazine derivatives as potent covalent inhibitors of CDK12/13. 39956276 Discovery of novel WRN inhibitors for treating MSI-H colorectal cancers. 39960261 Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase. 39960408 Design, Synthesis, and Characterization of GluN2A Negative Allosteric Modulators Suitable for In Vivo Exploration. 39960418 Conformational Role of Methyl in the Potency of Cyclohexane-Substituted Squaramide CCR6 Antagonists. 39961800 Opto-Epigenetic Regulation of Histone Arginine Asymmetric Dimethylation via Type I Protein Arginine Methyltransferase Inhibition. 39964330 Secondary Metabolites of the Lichen Lethariella cladonioides and Their Neuroprotective Potential. 39965158 Structure-Based Discovery of a Highly Selective, Oral Polo-Like Kinase 1 Inhibitor with Potent Antileukemic Activity. 39965408 Discovery of β-amino acid substituted naphthalene sulfonamide derivatives as potent Kelch-like ECH-associated protein 1-nuclear factor erythroid 2-related factor 2 (Keap1-Nrf2) protein-protein interaction inhibitors for ulcerative colitis management. 39967614 Carboxamide-Bearing Panobinostat Analogues Designed To Interact with E103-D104 at the Cavity Opening of Class I HDAC Isoforms. 39967616 Cyclic Peptides Targeting Granzyme B: Potential Applications as PET Imaging Agents. 39967617 Design, Synthesis, and Biological Evaluation of Chiral-Proline Derivatives as Novel HSP90 Inhibitors. 39967619 Imaging Alpha-synuclein with Novel 5H-Imidazo[1,5-b][1,2,4]triazole Radioligands for the Diagnosis of Parkinson's Disease. 39967622 Novel Indoline Derivatives as Serotonergic Psychedelic Agents for Treating Psychosis, Mental Illness and CNS Disorders. 39967625 Discovery of Novel pH-Sensitive μ-Opioid Receptor Agonists as Potent Analgesics with Reduced Side Effects. 39967631 Novel Imidazo[4,5-c]pyridine Compounds as TLR7 Agonists for Treating Cancer. 39967633 Novel Triazine Derivatives as NLRP3 Inhibitors for Treating Asthma or COPD. 39967635 Novel 3-Cycloaminoindole Compounds as Serotonergic Psychedelic Agents for Treating Psychosis, Mental Illness, and CNS Disorders. 39967636 Discovery of First-in-Class BAZ2A/B and BAZ2B-Selective Degraders. 39967637 AMP-Activated Protein Kinase Activators as Therapeutic Targets To Treat Heart Failure and Diseases That Can Benefit from Improved Muscular Performance. 39967640 Novel Heterocyclic Piperazine Amide Derivatives as Alpha-synuclein PET Ligands for Diagnosis of Parkinson's Disease. 39967642 Exploring Arylidene-Indolinone Ligands of Autophagy Proteins LC3B and GABARAP. 39967643 Receptor-Interacting Protein Kinase 1 (RIPK1) Inhibitors as Potential Treatment for Several Inflammatory and Neurodegenerative Diseases. 39967644 Novel 6-Substituted-3-Phenylisoindolin-1-ones as Cbl-B Inhibitors for Treating Cancer. 39970471 Design, Synthesis, and Biological Evaluation of Novel Fms-Like Tyrosine Kinase 3/VEGFR2/Histone Deacetylase Inhibitors for the Treatment of Acute Myeloid Leukemia. 39970485 Discovery of niclosamide as a p300/transcription factor protein-protein interaction inhibitor. 39970727 Identification of constrained peptidomimetics carrying a Michael acceptor warhead as antitrypanosomal agents. 39973170 ONC201-Derived Tetrahydropyridopyrimidindiones as Powerful ClpP Protease Activators to Tackle Diffuse Midline Glioma. 39973889 Design, Synthesis, and Pharmacological Evaluation of Quinazoline and Quinoline Derivatives as Potent ENPP1 Inhibitors for Cancer Immunotherapy. 39976355 Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors. 39978110 Discovery of a first-in-class PROTAC degrader of histone lysine demethylase KDM4. 39979078 Discovery of Novel and Highly Potent Dual PD-L1/Histone Deacetylase 6 Inhibitors with Favorable Pharmacokinetics for Cancer Immunotherapy. 39983408 Structure-activity relationship studies and pharmacological evaluation of 4-phenylthiazoles as dual soluble epoxide hydrolase/fatty acid amide hydrolase inhibitors. 39983555 Development of potent indole-3-carboxamide autotaxin inhibitors with preferred lipophilicity for in vivo treatment of pulmonary fibrosis. 39985821 New phenylpiperazine-thiazolidine-2,4-dione hybrids targeting MAO inhibition: Synthesis, biological evaluation, kinetic study and in silico insights. 39986632 Oligonucleotide-based telomerase inhibitors with a photoresponsive α-chloroaldehyde. 39987833 Discovery of potent quinone oxidoreductase 2 inhibitors to overcome TRAIL resistance of non-small cell lung cancer. 39987836 Development of coumarin and procaine linked hybrid molecules as a novel class of SHP1 fluorescent activators. 39999290 Sertraline and Astemizole Enhance the Deubiquitinase Activity of USP7 by Binding to Its Switching Loop Region. 39999563 MALT1 Inhibitors and Degraders: Strategies for NF-κB-Driven Malignancies. 39999647 Targeting glioma with heteroaromatic alkaloids: A review of potential therapeutics. 39999693 Discovery of novel pyrimidinetrione derivatives as DprE1 inhibitors with potent antimycobacterial activities. 39999742 Discovery and optimization of phenazopyridine hydrochloride as novel SARS-CoV-2 RdRp inhibitors. 40010268 Small molecule inhibitors of mannan-binding lectin-associated serine Proteases-2 and-3. 40010269 Design, synthesis, and antitumor activity of NSDs inhibitors targeting lung squamous cell carcinoma. 40010270 Discovery of potent, highly selective, and orally bioavailable factor XIa inhibitors for anticoagulant therapy. 40010271 Furazanopyrazine-based novel promising anticancer agents interfering with the eicosanoid biosynthesis pathways by dual mPGES-1 and sEH inhibition. 40011026 Multi-Water Bridges Enable Design of BET BD1-Selective Inhibitors for Pancreatic Cancer Therapy. 40012358 Discovery of Novel Oxazolo[4,3-f]purine Derivatives as Antitumor Agents through PPIA Interaction. 40013713 Discovery of a Novel 1,4-Benzodiazepine Derivative as a Highly Selective ANXA3 Degrader for the Treatment of Triple-Negative Breast Cancer. 40013758 Discovery of Novel Pyrrolo[2,3-b]pyridine-Based CSF-1R Inhibitors with Demonstrated Efficacy against Patient-Derived Colorectal Cancer Organoids. 40014385 Discovery, Synthesis, and Activity Evaluation of Novel Small-Molecule Inhibitors Targeting VISTA for Cancer Immunotherapy. 40014579 Novel Hypochlorous Acid-Activated Near-Infrared Probe Monitors the Dynamic Changes of Myeloperoxidase Activity in Ischemic Brain. 40014799 Orally Bioavailable and Site-Selective Covalent STING Inhibitor Derived from a Macrocyclic Marine Diterpenoid. 40015119 Design, synthesis, and biological evaluation of novel azaspirooxindolinone derivatives as potent inhibitors of ITK and BTK-dependent cancers. 40015121 Design, synthesis and biological activity of 8-hydroxy modified urolithin A derivatives as phosphodiesterase type II (PDE2) inhibitors. 40015157 Discovery of highly potent AKR1Cs pan-inhibitors as chemotherapeutic potentiators to restore breast cancer drug resistance. 40015162 Design and synthesis of azole derivatives of echinocystic acid as α-glucosidase inhibitors with hypoglycemic activity. 40015163 Asiatic acid and its derivatives: Pharmacological insights and applications. 40015914 Structure-Based Design of New LSD1/EGFRL858R/T790M Dual Inhibitors for Treating EGFR Mutant NSCLC Cancers. 40019854 Discovery of Nirmatrelvir (PF-07321332): A Potent, Orally Active Inhibitor of the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS CoV-2) Main Protease. 40020077 Structural Optimization of Covalent Inhibitors for Deubiquitinase ChlaDUB1 of Chlamydia trachomatis as Antibiotic Agents. 40020424 Design, synthesis and optimization of Apcin analogues as Cdc20 inhibitors for triple-negative breast cancer therapy. 40020426 Research progress of LpxC inhibitor on Gram-negative bacteria. 40020427 The discovery of novel N-heterocyclic-based AKT inhibitors with potential efficacy against prostate cancer. 40022722 Design and Synthesis of Novel Deazapurine DNMT 1 Inhibitors with In Vivo Efficacy in DLBCL. 40022875 Novel gut-restricted bivalent agonists targeting mucosal 5-HT4R: Design, synthesis, and biological evaluation. 40022879 Development of 3-arylaminothiophenic-2-carboxylic acid derivatives as new FTO inhibitors showing potent antileukemia activities. 40022881 Discovery of novel tranylcypromine-indazole-based derivatives as LSD1 inhibitors for acute myeloid leukemia treatment. 40024141 Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point. 40024142 Design, synthesis and activity evaluation of 4-(quinoline-2-yl)aniline derivatives as SARS-CoV‑2 main protease inhibitors. 40024167 Design, synthesis and biological evaluation of pyrrolopyrimidine urea derivatives as novel KRASG12C inhibitors for the treatment of cancer. 40029060 Discovery of the Clinical Candidate YY2201 as a Highly Potent and Selective ATR Inhibitor. 40032550 Discovery of Novel 2,4,5-Trisubstituted Pyrimidine Derivatives as Potent and Selective FGFR Inhibitors against Gatekeeper Mutants for the Treatment of NSCLC. 40033556 Discovery of Potent and Selective MNK Kinase Inhibitors for the Treatment of Leukemia. 40035393 Design, Synthesis, and Biological Activity of Novel Ornithine Decarboxylase (ODC) Inhibitors. 40035511 Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. 40035574 Development of Potent SHP2 Allosteric Inhibitors: Design, Synthesis, and Evaluation with Antitumor Effects. 40036600 Discovery of DFV890, a Potent Sulfonimidamide-Containing NLRP3 Inflammasome Inhibitor. 40036663 MrgX2-Targeting Ligand Screen for Antipseudoallergic Agents by Immobilized His-Tag-Fused Protein Technology. 40037062 Anti-inflammatory agents design via the fragment hybrid strategy in the discovery of compound c1 for treating ALI and UC. 40037063 Discovery of a potent and in vivo anti-inflammatory Efficacious, P2Y14R antagonist with a novel benzisoxazoles scaffold by DNA-encoded chemical library technology. 40037064 Combination therapy and dual-target inhibitors based on cyclin-dependent kinases (CDKs): Emerging strategies for cancer therapy. 40040241 Discovery of Isobenzofuran-1(3H)-one Derivatives as Selective TREK-1 Inhibitors with In Vitro and In Vivo Neuroprotective Effects. 40042617 Discovery and Optimization of Novel Apo-IDO1 Inhibitors by a Pharmacophore-Based Structural Simplification Strategy. 40042938 DNA-Encoded Library Screen Identifies Novel Series of Respiratory Syncytial Virus Polymerase Inhibitors. 40042998 Design of Benzyl-triazolopyrimidine-Based NADPH Oxidase Inhibitors Leads to the Discovery of a Potent Dual Covalent NOX2/MAOB Inhibitor. 40043102 The Heterogeneous Kinetic Origins of the Binding Properties of Orthosteric Ligands at Heteromeric Nicotinic Acetylcholine Receptors. 40043324 Impact of fixed phosphorus position on activity of triazole bisphosphonates as geranylgeranyl diphosphate synthase inhibitors. 40045167 Dual Modulator of FXR and HSD17B13: Revitalizing FXR Therapies in MASH. 40045825 Structure-Based Development of 3,4-Fused Tricyclic Benzofuran Derivatives as Polyketide Synthase 13 Inhibitors with Negligible hERG Inhibition. 40047238 Discovery of 5-Phenylthiazol-2-amine Derivatives as Novel PI4KIIIβ Inhibitors with Efficacious Antitumor Activity by Inhibiting the PI3K/AKT Axis. 40047531 Discovery of Novel, Potent, Orally Bioavailable and Efficacious, Hypoxia-Inducible Factor Prolyl Hydroxylase Inhibitors for Hematopoietic Stem Cell Mobilization. 40048549 Synthesis and Biological Evaluation of Peripheral 5HT2B Antagonists for Liver Fibrosis. 40048799 Structure-based design of novel 2,4,5-trisubstituted pyrimidine derivatives as potent HIV-1 NNRTIs by exploiting the tolerant regions in NNTRIs binding pocket. 40053382 An Amazing 30-Year Journey around the DABO Family: A Medicinal Chemistry Lesson on a Versatile Class of Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors. 40053484 Discovery of New Azaindole Metallo-Deubiquitinase CSN5 Inhibitors. 40054131 Design, synthesis and biological evaluation of novel hydroxamic acid-derived histone deacetylase inhibitors bearing a 2-oxoindoline scaffold as potential antitumor agents. 40054132 Discovery of novel benzoxazole analogues as potential anticancer agent selectively targeting aromatase. 40056080 Discovery of Daraxonrasib (RMC-6236), a Potent and Orally Bioavailable RAS(ON) Multi-selective, Noncovalent Tri-complex Inhibitor for the Treatment of Patients with Multiple RAS-Addicted Cancers. 40056799 Cross-subclass metallo-β-lactamase inhibitors: From structural and catalytic commonalities guiding design. 40058273 A comprehensive review of fused imidazonaphthyridine derivatives: Synthetic approaches and biological applications. 40059337 Total Synthesis of (-)- and (+)-Talaroenamine B and Diphenylene Derivatives. 40063353 Monoselective Histone Deacetylase 6 PROTAC Degrader Shows In Vivo Tractability. 40066994 Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects. 40068406 Structure-activity relationship analysis of meta-substituted N-cyclopropylmethyl-nornepenthones with mixed KOR/MOR activities. 40068407 Discovery of novel dihydropteridone derivatives as orally bioavailable PLK1 inhibitors with reduced hERG inhibitory activity for acute myeloid leukemia treatment. 40070132 UNC9426, a Potent and Orally Bioavailable TYRO3-Specific Inhibitor. 40073334 AI-Driven Discovery of Highly Specific and Efficacious hCES2A Inhibitors for Ameliorating Irinotecan-Triggered Gut Toxicity. 40073532 Discovery, synthesis, and biological mechanism evaluation of novel quinoline derivatives as potent NLRP3 inhibitors. 40074291 Optimization of Cyclophilin B-Targeted Tri-vector Inhibitors for Novel MASH Treatments. 40080446 Discovery of YJZ5118: A Potent and Highly Selective Irreversible CDK12/13 Inhibitor with Synergistic Effects in Combination with Akt Inhibition. 40081102 Design, synthesis, and biological evaluation of 4-(2-fluorophenoxy)pyridine derivatives as novel FLT3-ITD inhibitors. 40081602 Synthesis, screening and validation of cysteine-reactive fragments as chikungunya virus protease inhibitors. 40088662 A new potent and selective peroxisome proliferator-activated receptor alpha partial agonist displays anti-steatotic effects In vitro and behaves as a safe hypolipidemic and hypoglycemic agent in a diabetic mouse model. 40089036 Design, synthesis, and biological evaluation of novel aminopyrimidine derivatives as EGFR inhibitors. 40090297 Recent advances in CDC7 kinase inhibitors: Novel strategies for the treatment of cancers and neurodegenerative diseases. 40090298 Aromatic nitroolefin with inhibition efficacy in triple-negative breast cancer cells by dual targeting RXRα and tubulins. 40091212 Design, Biological Characterization, and Discovery of Capromorelin Derivatives as Oral Growth Hormone Secretagogue Receptor Type 1a Agonist for the Treatment of Growth Hormone Deficiency. 40099438 Size-Dependent Target Engagement of Covalent Probes. 40099448 Discovery of BT-114143, a Novel and Potent Phosphoric Acid-Containing Small-Molecule Plasminogen Activation Inhibitor for Hyperfibrinolysis. 40100796 Discovery of a Potent SARM1 Base-Exchange Inhibitor with In Vivo Efficacy. 40101196 Designing Macrocyclic Kinase Inhibitors Using Macrocycle Scaffold Hopping with Reinforced Learning (Macro-Hop). 40101448 Phenyl-benzyl-ureas with pyridazinone motif: Potent soluble epoxide hydrolase inhibitors with enhanced pharmacokinetics and efficacy in a paclitaxel-induced neuropathic pain model. 40101450 Unveiling a novel pyrazolopyrimidine scaffold as a dual COX-2/5-LOX inhibitor with immunomodulatory potential: Design, synthesis, target prediction, anti-inflammatory activity, and ADME-T with docking simulation. 40101451 Design, synthesis and biological evaluation of 2-[1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamido]benzoic acids as promising urate transporter 1 inhibitors with potential nephroprotective efficacy for the treatment of hyperuricemic nephropathy. 40101452 Discovery of dual CDK4/6 and BRD4 inhibitor as apoptosis and autophagy inducers against NSCLC in vitro and in vivo. 40102181 From DNA-Encoded Library Screening to AM-9747: An MTA-Cooperative PRMT5 Inhibitor with Potent Oral In Vivo Efficacy. 40104782 Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations. 40104783 Structural Studies of the Dopamine D4 Receptor Antagonist Sonepiprazole as an Inhibitor of Human Carbonic Anhydrases. 40104785 Identification of Phosphodiesterase-7 Inhibitors with Spiro[[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexan]-7-one Scaffold for the Treatment of Chronic Fatigue. 40104787 Thiosulfonate-Based Targeted Covalent Cruzipain Inhibitors with Enhanced Bioactivity Translation for Antichagasic Therapy. 40104791 Peripherally Restricted Fused Heterocyclic Peptidomimetic Multifunctional Opioid Agonists as Novel, Potent Analgesics. 40104792 Novel 5,6-Fused and 6,6-Fused Bicyclic Compounds as 15-Prostaglandin Dehydrogenase Modulators. 40104793 Novel Pyrimidinyl Sulfonamide Derivatives as GPR17 Modulators. 40104794 Identification of Indazole- and Azaindazole-Substituted Cyclopentapyrroles as G2019S Leucine-Rich Repeat Kinase 2 Inhibitors for the Treatment of CNS Disorders. 40104795 Derivatives of Aristoquinoline Accessed through a Ritter-like Reaction. 40104799 Novel Cyclic Peptides Inhibiting Tumor Necrosis Factor Receptor 1 Activity. 40104800 In-Silico Screening-Based Discovery of New Natural eEF2K Inhibitors with Neuritogenic Activity. 40104801 Is a Fungal Apocalypse Inevitable or Just a Hallucination? An Overview of the Antifungal Armamentarium Used in the Fight against Pathogenic Fungi. 40104802 Development of Ethyl-Hydrazide-Based Selective Histone Deacetylase 6 (HDAC6) PROTACs. 40104804 Discovery of HMPL-306 (Ranosidenib), a New Potent and Selective Dual Inhibitor of Mutant IDH1 and 2 in Clinical Development for Cancer Treatment. 40107208 Discovery of potent and selective CDK2 inhibitors with high safety and favorable bioavailability for the treatment of cancer. 40107630 Discovery of ATP competitive PDHK1/2 dual inhibitors. 40108955 Discovery of HM-279, a Potent Inhibitor of ALK5 for Improving Therapeutic Efficacy of Cancer Immunotherapy. 40110119 A Hybrid Energy-Based and AI-Based Screening Approach for the Discovery of Novel Inhibitors of AXL. 40110855 Chemoproteomic Profiling of C. albicans for Characterization of Antifungal Kinase Inhibitors. 40111261 Discovery of Novel SIK2/3 Inhibitors for the Potential Treatment of MEF2C+ Acute Myeloid Leukemia (AML). 40112662 Design, synthesis and biological evaluation of WEE1 degraders via HSP90-mediated targeting chimeras for target therapy of acute myeloid leukemia. 40112665 Discovery of a novel quinoxaline derivative modulator via a dual P53/TLR2 targeting strategy for the alleviation of radiation damage. 40116635 Discovery of a Highly Potent and Selective Tyrosine Kinase 2 (TYK2) Degrader with In Vivo Therapeutic Efficacy in a Murine Psoriasis Model. 40120493 Discovery of first-in-class human glycolate oxidase near infrared molecular rotor inhibitors (NIRGOi). 40120495 Macrocyclic dihydropyridine analogs as pan-BET BD2-preferred inhibitors. 40120497 6,7-Dimethoxy-2-methyl-4-substituted quinazolines: Design, synthesis, EGFR inhibitory activity, in vitro cytotoxicity, and in silico studies. 40120499 Rational design, optimization, and biological evaluation of novel pyrrolo-pyridone derivatives as potent and orally active Cbl-b inhibitors. 40123070 Development of Tricyclic 4,5-Dihydro-3H-pyrrolo[2,3-c]quinolin-4-ones as Potent Autotaxin Inhibitors for Pulmonary Fibrosis Treatment In Vivo. 40125948 Discovery of c-Kit as a New Therapeutic Target in LPS-Induced Acute Lung Injury through Novel Phenylamide Derivative D9. 40127224 Uncovering α-Selectivity for Liver X Receptor Agonists for Lipotoxic Cancer Therapies. 40131099 Discovery of Potent and Balanced Dual RIPK2 and 3 Inhibitors as a New Strategy for the Treatment of Inflammatory Bowel Diseases. 40132469 Discovery and rational optimization of 2, 2'-((1H-indole-2,3-diyl) bis (thio))diacetamide as novel SARS-CoV-2 RdRp inhibitors. 40132494 Novel 15-lipoxygenase-1 inhibitor protects cells from RSL3-induced cell death. 40132498 Development of acylhydrazone linked thiazoles as non-covalent dual inhibitors of SARS-CoV-2 proteases. 40134122 Deconstruction of Dual-Site Tankyrase Inhibitors Provides Insights into Binding Energetics and Suggests Critical Hotspots for Ligand Optimization. 40136287 Discovery of Conformationally Constrained Dihydro Benzo-Indole Derivatives as Metallo-β-Lactamase Inhibitors to Tackle Multidrug-Resistant Bacterial Infections. 40138192 PaAP-Activatable NIR Probe for Diagnosing, Imaging, and Discovering Small-Molecule Therapeutics against Implant-Associated Biofilm Infections. 40138991 Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension. 40138993 Design, synthesis and biological evaluation of 3-amino-6-(2-hydroxyphenyl)pyridazin-4-aryl derivatives as SMARCA2/4 degraders. 40139330 Design, synthesis, molecular docking and ADME of novel phenylalanine derivatives as mushroom tyrosinase inhibitors. 40143712 Discovery of Highly Potent AKR1C3 Inhibitors Treating Sorafenib-Resistant Hepatocellular Carcinoma. 40145447 Potent and Selective Human Constitutive Androstane Receptor Activator DL5055 Facilitates Cyclophosphamide-Based Chemotherapies. 40145578 Towards P2X4 Positron Emission Tomography Tracing. 40146197 Discovery of AMG 193, an MTA-Cooperative PRMT5 Inhibitor for the Treatment of MTAP-Deleted Cancers. 40147362 Synthesis and biological activity of 1H-pyrrolo[3,2-g]isoquinolines as Haspin kinase inhibitors. 40147803 Discovery of 4-((quinolin-8-ylthio)methyl)benzamide derivatives as a new class of SARS-CoV-2 nsp13 inhibitors. 40152179 Discovery of the 2,3-Dihydrobenzopyrane-4-one as a Potent FTO Inhibitor against Obesity-Related Metabolic Diseases. 40153736 Design, Synthesis, Evaluation, and SAR of 5-Phenylisoindoline Derivatives, a Potent Class of Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 (PD-1/PD-L1) Interaction. 40153927 A highly active angiotensin I-converting enzyme inhibitory peptide KAKW designed based on the role of C-terminal residue, and its antihypertensive effects on spontaneously hypertensive rats. 40153932 Discovery of phenylisoxazolidine analogs targeting receptor interacting protein kinase 1 with anti-inflammatory activity. 40156840 From Bones to Bugs: Structure-Based Development of Raloxifene-Derived Pathoblockers That Inhibit Pyocyanin Production in Pseudomonas aeruginosa. 40157312 Design, synthesis, and activity evaluation of novel STING inhibitors based on C170 and H151. 40159850 Rational Design of the First Dual Agonist at Trace Amine-Associated Receptor 1 and 5-HT2C Receptors Based on Binding Pocket Similarity for the Treatment of Schizophrenia and Alzheimer's Disease-Related Psychosis. 40162713 Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras. 40163413 Real Way to Target Gram-Negative Pathogens: Discovery of a Novel Helicobacter pylori Antibiotic Class. 40163818 From N-0385 to N-0920: Unveiling a Host-Directed Protease Inhibitor with Picomolar Antiviral Efficacy against Prevalent SARS-CoV-2 Variants. 40163974 Discovery of novel transforming growth factor β type 1 receptor inhibitors through structure-based virtual screening, preliminary structure-activity relationship study, and biological evaluation in hepatocellular carcinoma. 40164393 Synthesis and biological evaluation of novel 4-Arylaminoquinolines derivatives as EGFR/HDAC inhibitors. 40168472 Indolizine Derivatives Inhibit TRPM2 and Protect against Ischemic Brain Injury with an Extended Treatment Window. 40168649 Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors. 40168909 TCM theory-inspired discovery of DNJ-flavonoid conjugates as broad-spectrum anti-SARS-CoV-2 agents by primarily targeting ER-associated glycoprotein folding process. 40174262 Acetal functionalized iminosugars for targeting β-glucocerebrosidase modulation. 40177883 HDAC11 Inhibition as a Potential Therapeutic Strategy for AML: Target Identification, Lead Discovery, Antitumor Potency, and Mechanism Investigation. 40179611 Discovery of a series of novel 3-sulfonamido benzoic acid derivatives as promising P2Y14R antagonists for acute lung injury. 40179613 O-derivatization of natural tropolone and β-thujaplicin leading to effective inhibitors of human carbonic anhydrases IX and XII. 40179614 Synthesis and structure-activity evaluation of a series of novel tricyclic STING activators. 40184776 Exploiting structural variability in the kinase back-pocket to modulate polypharmacology of TAM inhibitors. 40184777 The Liebeskind-Srogl cross-coupling reaction towards the synthesis of biologically active compounds. 40186327 Structure-Based Design and Optimization Lead to the Identification of a Novel Potent sEH Inhibitor with PPARγ Partial Agonist Activity against Inflammatory and Metabolic-Related Diseases. 40186564 Deuteration Strategy-Inspired Design of Novel Diarylpyrimidine Derivatives as Potent Non-Nucleoside Reverse Transcriptase Inhibitors Featuring Improved Efficacy, Selectivity, and Druggability. 40186586 Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations. 40186896 2-(Phenylamino)-7,8-dihydroquinazolin-5(6H)-one, a promising scaffold for MAO-B inhibitors with potential GSK3β targeting. 40188441 Discovery of Potent STING Inhibitors Bearing a Difluorobenzodioxol Structural Motif as Potent Anti-Inflammatory Agents. 40191988 Design, Synthesis, and Biological Evaluation of Pyrrolo[1,2-a]quinoxalin-4(5H)-one Derivatives as Potent and Orally Available Noncovalent Bruton's Tyrosine Kinase (BTK) Inhibitors. 40193276 Development of Hydrazide-Based HDAC6 Selective Inhibitors for Treating NLRP3 Inflammasome-Related Diseases. 40193703 Novel Spiro-Barbiturates Can Reverse the Action of General Anesthetics on the GABAAR. 40198119 Development of Squaramides as Allosteric Modulators of the CB1 Receptor: Synthesis, Computational Studies, Biological Characterization, and Effects against Cocaine-Induced Behavioral Sensitization and Reinstatement in Rats. 40198203 Lead Optimization of Positive Allosteric KV7.2/3 Channel Modulators toward Improved Balance of Lipophilicity and Aqueous Solubility. 40198746 Structure-Based Discovery Targeting GSK-3α Reveals Potent Nanomolar Selective 4-Phenyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridine Inhibitor with Promising Glioblastoma and CNS-Active Potential in Cellular Models. 40198752 Discovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy. 40198818 Discovery of a Novel Dihydroisoquinolinone Derivative as a Potent CDK9 Inhibitor Capable of Overcoming L156F Mutant for the Treatment of Hematologic Malignancies. 40199026 Discovery of 2,4-dianilinopyrimidine derivatives as novel p90 ribosomal S6 protein kinase (RSK) inhibitors. 40202531 Harnessing the SPOP E3 Ubiquitin Ligase via a Bridged Proteolysis Targeting Chimera (PROTAC) Strategy for Targeted Protein Degradation. 40205658 Selective Inhibition of Rat α7 Nicotinic Acetylcholine Receptors by LvID, a Newly Characterized α4/7-Conotoxin from Conus lividus. 40207690 Discovery of WEE1 Kinase Inhibitors with Potent Activity against Patient-Derived, Metastatic Colorectal Cancer Organoids. 40209420 Discovery of non-electrophilic TRPA1 channel agonists with anti-nociceptive effects via rapid current desensitization. 40213868 Discovery of FLT3-ITD Inhibitor Clifutinib: A Novel Biphenylacetylene Urea Derivative in Clinical Trials for the Treatment of Relapsed/Refractory FLT3-ITD+ Acute Myeloid Leukemia. 40213902 Rational Design of Methylene Blue-Raloxifene Conjugates for Efficient Breast Tumor Elimination Triggered by ERα Degradation. 40215328 Discovery of Novel TYRO3/MERTK Dual Inhibitors. 40215561 Design, synthesis, and biological evaluation of quinolinyl-ureido-phenyl-hydrazide derivatives and quinolinyl-hydrazide derivatives as anticancer agents targeting Nur77-mediated ferroptosis. 40222165 Discovery and exploration of disubstituted [1,2,5]oxadiazolo-[3,4-b]pyrazines as novel C-C chemokine receptor type 5 signaling inhibitors targeting the intracellular allosteric binding pocket. 40223217 Bifunctional Inhibition of Botulinum Neurotoxin A Protease: Unexpected Active Site Inhibition Enhances Covalent Targeting of an Allosteric Site. 40223545 Development of Novel PRMT7 Inhibitors for the Treatment of Prostate Cancer. 40226893 PCSK9 Targeted Autophagosome-Tethering Compounds: Design, Synthesis, and Antiatherosclerosis Evaluation. 40227166 Efficacy and Toxicity Analysis of Selective BET Bromodomain Inhibitors in Models of Inflammatory Liver Disease. 40227434 Identification of Novel Cyclobutane-Based Derivatives as Potent Acetyl-CoA Carboxylase Allosteric Inhibitors for Nonalcoholic Steatohepatitis Drug Discovery. 40227865 Discovery of Phenylacylpiperidine as Novel sEH Inhibitors through Scaffold Hopping of Natural Stilbene. 40228810 Optimization and Characterization of N-Acetamide Indoles as Antimalarials That Target PfATP4. 40230281 Discovery of Dual PD-L1/HDAC3 Inhibitors for Tumor Immunotherapy. 40231785 Tertiary Alcohol: Reaping the Benefits but Minimizing the Drawbacks of Hydroxy Groups in Drug Discovery. 40231807 Discovery of Novel Bifunctional Agents as Potent Androgen Receptor Antagonists and Degraders for the Treatment of Enzalutamide-Resistant Prostate Cancer. 40232306 Discovery of a Potent and Selective Protein Arginine Methyltransferase 5 (PRMT5) PROTAC Degrader. 40233424 Design, synthesis and bioevaluation of novel hydrazide derivatives as enhancers of immunotherapy and DNA-damage response in antitumor therapy. 40236523 Novel Cyclic Peptides as Interleukin-23 Inhibitor for Treating Inflammatory Disorders. 40236532 6-Aryl Isoindolin-1-ones: Novel mGluR2 Negative Allosteric Modulators. 40236534 Discovery of Novel DDR1 Inhibitors through a Hybrid Virtual Screening Pipeline, Biological Evaluation and Molecular Dynamics Simulations. 40236537 Novel Compounds as NLRP3 Inhibitors for Treating Asthma or COPD. 40236541 Novel 6-Aryl isoindolin-1-one Derivatives as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 2. 40236544 Novel PARP7 Inhibitors for Treating Cancer. 40236546 Targeting Oncogenic Pathways: Advances in KRAS, CDK, EGFR, and PROTAC-Based Therapies. 40236548 1,6-Naphthridine Compounds as SMARCA2 Inhibitors for Treating Non-small Cell Lung Cancer. 40236554 Integrated Advancements in Neuroplasticity, Psychedelic Therapeutics, and AI-Driven Innovations for Precision Medicine. 40236555 Design, Synthesis, and Evaluation of a New Fluorescent Ligand for the M2 Muscarinic Acetylcholine Receptor. 40236558 Novel Piperidinylpyridinylcarbonitrile Derivatives as QPCT and QPCTL Inhibitors for Treating Cancer. 40236560 Synthesis and Evaluation of Thiazolidinone-Isatin Hybrids for Selective Inhibition of Cancer-Related Carbonic Anhydrases. 40237323 Identification of JNJ-61803534, a RORγt Inverse Agonist for the Treatment of Psoriasis. 40237575 Shooting an Arrow against Convulsion: Novel Triazole-Grafted Benzenesulfonamide Derivatives as Carbonic Anhydrase II and VII Inhibitors. 40237780 Ubiquitin-Specific Protease 7 (USP7) as a Promising Therapeutic Target for Drug Discovery: From Mechanisms to Therapies. 40238926 Discovery and Evaluation of Active Site-Directed, Potent, and Selective Sulfophenyl Acetic Amide-Based Inhibitors for the Laforin Phosphatase. 40239060 Discovery and Optimization of Potent and Highly Selective PARP14 Inhibitors for the Treatment of Atopic Dermatitis. 40239484 Discovery of potent focal adhesion kinase (FAK) inhibitor A8 with enhanced antitumor activity. 40239486 1,5-Disubstituted 1,2,3-triazoles: Molecular scaffolds for medicinal chemistry and biomolecular mimetics. 40244695 Structure-Guided Design of ISOX-DUAL-Based Degraders Targeting BRD4 and CBP/EP300: A Case of Degrader Collapse. 40245441 Challenging the "Undruggable"─Targeting STAT3 but Identifying Potent TrkA-Targeted Inhibitors. 40252381 Synthetic approaches and clinical application of KRAS inhibitors for cancer therapy. 40254917 Thienopyrimidinone Derivatives as a GluN2B/C/D Biased, Positive Allosteric Modulator of the N-Methyl-d-Aspartate Receptor. 40258217 Synthesis and Pharmacological Characterization of Novel Peripheral Cannabinoid-1 Receptor Blockers Based on a Tricyclic Scaffold. 40262033 On-Resin Assembly of Macrocyclic Inhibitors of Cryptococcus neoformans May1: A Pathway to Potent Antifungal Agents. 40263713 Derivatives of the Clinically Used HIF Prolyl Hydroxylase Inhibitor Desidustat Are Efficient Inhibitors of Human γ-Butyrobetaine Hydroxylase. 40267877 Redesigning oxazolidinones as carbonic anhydrase inhibitors against vancomycin-resistant enterococci. 40273287 Discovery of a Potent, Selective, and Brain-Penetrant Checkpoint Kinase 1 Inhibitor, BEN-28010, for the Treatment of Glioblastoma. 40274264 Exploring Simple Drug Scaffolds from the Generated Database Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology. 40277220 Discovery and Optimization of a Covalent AKR1C3 Inhibitor. 40279549 Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight Pseudomonas aeruginosa-Burkholderia cenocepacia Infections: A Biophysical Study. 40288120 Novel tacrine-based multi-target directed Ligands: Enhancing cholinesterase inhibition, NMDA receptor antagonism, and CNS bioavailability for Alzheimer's disease treatment. 40288122 Challenging triple negative breast cancer through HDAC6 selective inhibition: Novel cap-group identification, structure-activity relationships, computational and biological studies. 40289347 Discovery of Potent PDEδ/NAMPT Dual Inhibitors: Preclinical Evaluation in KRAS Mutant Pancreatic Cancer Cells. 40289379 Drug-like Antagonists of P2Y Receptor Subtypes: An Update. 40298091 Design, Synthesis, and Biological Evaluation of Selective STING Synergists That Enhance cGAMP-STING Pathway Activation without Inherent Agonist Activity. 40298128 Synthesis of 5,9- and 5,8-Diaminoalkoxy Substituted Benzophenanthridinone Analogues as Tyrosyl-DNA Phosphodiesterase 1 Inhibitors and Their Radiosensitizing Activity. 40298172 Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9. 40300091 Inverse Agonists of Peroxisome Proliferator-Activated Receptor Gamma: Advances and Prospects in Cancer Treatment. 40307003 Bardoxolone Derivatives as Novel Pseudo-Natural Necroptosis Inhibitors by Destabilizing HSP90 Client Proteins. 40310691 Structural Optimization of Pyrazole Compounds as Hsp90 Regulators with Enhanced Antitumor Activity. 40312858 PSMA-Guided PROTAC Degraders for Tumor-Specific Protein Degradation in Prostate Cancer. 40317470 AI-Driven De Novo Design and Development of Nontoxic DYRK1A Inhibitors. 40317731 Design, Synthesis, and Biological Evaluation of Novel Activators of Human Caseinolytic Protease P with a Pyrazololactam Scaffold. 40324045 A Perspective on the Strategic Application of Deconstruction-Reconstruction in Drug Discovery. 40325350 Structure-Guided Optimization of 2-Aminoquinazoline Hematopoietic Progenitor Kinase 1 Inhibitors for Improved Oral Bioavailability and Synergistic Antitumor Immunity. 40331971 New Insights into the French Paradox: Free Radical Scavenging by Resveratrol Yields Cardiovascular Protective Metabolites. 40334145 Discovery of P11-2: A Potent First-in-Class MNK1-Targeting PROTAC Degrader for the Treatment of Cancer. 40336482 A First-in-Class Hepatocyte Nuclear Factor 4 Agonist. 40338676 De Novo 3-(Phenylcarbamoyl) Benzoate Analogues: Efficacy against Multidrug-Resistant S. aureus and Elucidation of the Biodistribution Profile. 40338735 Discovery and Characterization of RP03707: A Highly Potent and Selective KRASG12D PROTAC. 40340349 Discovery of Highly Potent and Selective EZH2 Covalent Inhibitors via Incorporating Basic Amines. 40340390 Design, Synthesis, and Evaluation of Novel ROCK Inhibitors for Glaucoma Treatment: Insights into In Vitro and In Vivo Efficacy and Safety. 40340418 Rational Design of Dual Degraders by Incorporating Molecular Glue Structural Features into PROTAC Degraders. 40344198 Discovery of 3-(Fluoro-imidazolyl)pyridazine Derivatives as Potent STING Agonists with Antitumor Activity. 40353293 Discovery of a Chiral 2,4-Substituted Pyrrolo[2,3-d]pyrimidine as a Potent, Selective, and Orally Bioavailable LRRK2 Inhibitor. 40358029 Identification of a RANKL/TNF-α Dual-Inhibitor as a Potential Disease-Modifying Agent for the Treatment of Knee Osteoarthritis. 40365381 Novel Piperidine Substituted Pyrazolopyrimidine Derivatives as SGK1 Inhibitors for Treating Cardiovascular Diseases. 40365383 Novel Emopamil-Binding Protein Inhibitors for Treating Multiple Sclerosis. 40365387 Novel Azaindole Compounds as Phosphodiesterase 4B Inhibitors for Treating Immune-Inflammatory Diseases or Disorders. 40365389 Novel Sulfonamide Derivatives as Nav1.5 Sodium Channel Blockers for Treating Atrial Fibrillation. 40365391 Novel Substituted Cyclic Compounds as SLC6A19 Inhibitors for Treating Phenylketonuria and Other Amino Acidurias. 40365393 IRAK1/4/pan-FLT3 Kinase Inhibitors with Reduced hERG Block as Treatments for Acute Myeloid Leukemia. 40365394 Novel Spirocyclic WRN Helicase Inhibitors for Treating Cancer. 40365396 Discovery of Thieno[3,2-b]pyridine-5-carboxamide and 2,3-Difluorobenzamide Negative Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5. 40365397 Novel Isoxazolidines Derivatives as RIPK1 Inhibitors for Treating Neurodegenerative Diseases. 40365398 Novel Heterocyclic Pyrimidine Derivatives as GSK3α Inhibitors. 40365404 Discovery of ONO-TR-772 (VU6018042): A Highly Selective and CNS Penetrant TREK Inhibitor in Vivo Tool Compound. 40365405 Novel Tricyclic Compounds as GSK3 Inhibitors. 40365407 Novel 2-Pyrrolidone Derivatives as Negative Allosteric Modulators of GluN2B-Containing NMDA Receptors. 40365408 Novel Compounds as NLRP3 Inhibitors for Treating Asthma or COPD. 40365409 Macrocyclization: Enhancing Drug-like Properties of Discoidin Domain Receptor Kinase Inhibitors. 40365413 Targeting KRAS G12D Mutations: Advances in Small Molecule Inhibitors and PROTAC Technology. 40365414 Novel Pyrido[3,4-d]pyrimidin-4-one and Pyrimido[5,4-d]pyrimidin-4-one Derivatives as TREM2 Agonists for Treating Parkinson's Disease. 40366915 XPO1-Targeting Selective Inhibitors of Transcriptional Activation Suppress Graft-versus-Host Disease. 40368335 Diazepine Agonists of the 5-HT2C Receptor with Unprecedented Selectivity: Discovery of Bexicaserin (LP352). 40371931 Design, Synthesis, and Biological Evaluation of 4-(Difluoromethyl)-1H-imidazole-5-carboxylic Acids/4-(3-Cyanophenoxy)pyrimidine-5-carboxylic Acids as P2Y1 Receptor Antagonists for Ischemic Stroke Treatment. 40377111 Medicinal Chemistry Progression of Sapanisertib, the Anticancer and Dual Plasmodium Phosphatidylinositol 4-Kinase Beta and cGMP-Dependent Protein Kinase Inhibitor, for Malaria. 40377914 Similar Binding Mode of a 5-Sulfonylthiouracil Derivative Antagonist at Chemerin Receptors CMKLR1 and GPR1. 40378279 Discovery of RP-1664: A First-in-Class Orally Bioavailable, Selective PLK4 Inhibitor. 40383919 Development of Novel Phthalazinone-Triazole Hybrids as Potential Antidiabetic Agents Targeting GLUT4 Translocation in Skeletal Muscle. 40386971 Design of Potent Small-Molecule Stimulator of Interferon Gene Inhibitor and Stimulator of Interferon Gene Mutant-Specific Degrader. 40387207 Discovery of Highly Potent, Selective, and Liver-Targeting HSD17B13 Inhibitor with Robust In Vivo Anti-MASH Activity. 40387346 Discovery of a Potent FLT3 Inhibitor (E)-4-(3-(3-Fluoro-4-(morpholinomethyl)styryl)-1H-indazol-6-yl)pyridin-2-amine for the Treatment of Acute Myeloid Leukemia with Multiple FLT3 Mutations. 40391976 Structure-Based Design of Potent and Selective MerTK Inhibitors by Modulating the Conformation of αC Helix. 40392624 Discovery and Administration Optimization of Novel Selective CDK9 Inhibitor, 1-7a-B1, for Improved Pharmacokinetics and Antitumor Efficacy In Vivo. 40404564 A "Ligand First" Approach toward Selective, Covalent JNK2/3 Inhibitors. 40407274 Discovery of AB801, a Potent and Selective Inhibitor of AXL Receptor Tyrosine Kinase for Use in Cancer Therapy. 40423264 Design, Synthesis, and Biological Evaluation of New PDE4 Inhibitors for the Treatment of Pressure Ulcers. 40434342 The Discovery of C7-Substituted Norbornyl Bisamides as RXFP1 Small Molecule Agonists. 40442078 Structural Optimization of Next-Generation TRK Inhibitors against Acquired Drug Resistance Mutations for the Treatment of Solid Tumors. 40442142 Design of an Oral STING Agonist through Intramolecular Hydrogen Bond Ring Mimicking to Achieve Complete Tumor Regression. 40446161 Harder than Metal: Challenging Antimicrobial Resistance with Metallo-β-lactamase Inhibitors. 40448666 Novel Carbamate-Based o-aminobenzamide Derivatives as Potent Antigastric Carcinoma Agents via Disrupting NAD+ Salvage Synthesis. 40448714 Lysine-Targeted Covalent Strategy Leading to the Discovery of Novel Potent PROTAC-Based PI3Kδ Degraders. 40456695 Optimization of 1-Methyl-3-(pyridin-3-yl)-1H-indol Derivatives as ROR1 Inhibitors with Improved Activity and Selectivity. 40459881 Discovery of KIN-8741, a Highly Selective Type IIb c-Met Kinase Inhibitor with Broad Mutation Coverage and Quality Drug-Like Properties for the Treatment of Cancer. 40462476 Heparan Sulfate-Based Neoproteoglycan for Targeted Lysosomal Degradation of Amyloid-β. 40472162 Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen. 40474483 Discovery of TBK1Molecular Glue Degraders as a Potential Strategy for the Treatment of Autosomal Dominant Polycystic Kidney Disease (ADPKD). 40492684 Design and Synthesis of PARP/CDK6 Dual-Target Inhibitors Modulating of Wnt/β-Catenin Signaling Pathway for the Treatment of BRCA Wild-Type TNBC. 40493957 Discovery of KDX1381, a Bivalent CK2α Inhibitor for the Treatment of Solid Tumors as a Single Agent or in Combination. 40498640 Discovery of BAY 3389934 Hydrochloride: A Potent and Selective Small-Molecule Dual Factor IIa/Xa Inhibitor with Short Half-Life for the Acute Treatment of Sepsis-Induced Coagulopathy. 40499097 Searching for Synthetic Opioid Rescue Agents. 2: Identification of an Ultra-Potent Synthetic Opioid Rescue Agent. 40500735 Could Hydrophobicity of Sulfated Pseudo-Trisaccharides Derived from Repurposing Aminoglycoside Tobramycin Modulate the Enzymatic Activity of Heparanase? 40503743 Prodrugs Targeting Prostate-Specific Membrane Antigen against Prostate Cancer. 40505138 Discovery of a Selective, Novel TGF-βR1 Inhibitor GFH018 for the Treatment of Solid Tumors. 40518729 Discovery and Optimization of Potent PROTAC Degraders of Phosphoinositide 3-Kinase with Significant in Vivo Anticancer Efficacy. 40518797 Discovery and Crystallography Study of Novel Resorcinol Dibenzyl Ether-Based PD-1/PD-L1 Inhibitors with Improved Drug-like and Pharmacokinetic Properties for Cancer Treatment. 40526114 Discovery of APH02174 as a Highly Selective and Orally Bioavailable IRAK4 Degrader for the Treatment of Inflammatory Diseases. 40634283 Identification of Direct-Acting nsP2 Helicase Inhibitors with Antialphaviral Activity. US12527763 Pyrrole amide compound and use thereof US12527774 Estrogen-related receptor alpha modulators US12527775 Heteroaromatic derivatives having serotonin receptor binding activity US12527776 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) US12527778 Enantiomers of a series of antiviral compounds US12528773 Non-lysosomal glucosylceramidase inhibitors and uses thereof US12528797 Heterocyclic compounds for medical treatment US12528814 Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof US12534425 Phenalkylamines and methods of treating mood disorders US12534451 Small molecule modulators of PanK US12534452 N-(1H-imidazol-2-yl)benzamide compound and pharmaceutical composition comprising the same as active ingredient US12534458 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors US12534477 Compound having KHK inhibitory effect US12540131 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 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