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Structure-Activity Relationship of Truncated 4'-Selenonucleosides: A3 Adenosine Receptor Activity and Binding Selectivity.

ACS Med Chem Lett 15: 1620-1626

Seoul National University

2D 3D TSV

Discovery of Benzo[d]oxazoles as Novel Dual Small-Molecule Inhibitors Targeting PD-1/PD-L1 and VISTA Pathway.

J Med Chem 67: 18526-18548

China Pharmaceutical University

2D 3D TSV

An Adenosine Analogue Library Reveals Insights into Active Sites of Protein Arginine Methyltransferases and Enables the Discovery of a Selective PRMT4 Inhibitor.

J Med Chem 67: 18053-18069

Purdue University

2D 3D TSV

Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity.

J Med Chem 67: 18412-18447

Beijing Institute of Technology

2D 3D TSV

Discovery of Imidazo[1,2-a]pyrazine Derivatives as Potent ENPP1 Inhibitors.

J Med Chem 67: 18317-18333

Shanghai Institute of Materia Medica

2D 3D TSV

Discovery of CZL-046 with an (S)-3-Fluoropyrrolidin-2-one Scaffold as a p300 Bromodomain Inhibitor for the Treatment of Multiple Myeloma.

J Med Chem 67: 18606-18628

Fudan University

2D 3D TSV

Design, synthesis and biological evaluation of indazole derivatives as VEGFR-2 kinase inhibitors with anti-angiogenic properties.

Eur J Med Chem 279:

Anhui Medical University

2D 3D TSV

Discovery of novel substituted pyridine carboxamide derivatives as potent allosteric SHP2 inhibitors.

Eur J Med Chem 279:

China Pharmaceutical University

2D 3D TSV

Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.

J Med Chem 67: 16455-16479

AstraZeneca

2D 3D TSV

Benign-by-Design SAHA Analogues for Human and Animal Vector-Borne Parasitic Diseases.

ACS Med Chem Lett 15: 1506-1515

University of Bologna

2D 3D TSV

Nicotinic Acid Derivatives As Novel Noncompetitive α-Amylase and α-Glucosidase Inhibitors for Type 2 Diabetes Treatment.

ACS Med Chem Lett 15: 1474-1481

University of Milan

2D 3D TSV

Novel Azepino[4,5-b]indolone as cGAS Inhibitors for Treating Immune-Mediated Diseases.

ACS Med Chem Lett 15: 1417-1418

Smith, Gambrell & Russell

2D 3D TSV

Novel Triazolopyridine Derivatives as DGAT2 Inhibitors for Treating Multiple Diseases.

ACS Med Chem Lett 15: 1435-1436

Smith, Gambrell & Russell

2D 3D TSV

Inhibitors of the Cyclic GMP-AMP Synthase (cGAS) as Potential Treatment for Autoimmune and Inflammatory Diseases.

ACS Med Chem Lett 15: 1424-1426

PI Health Sciences

2D 3D TSV

Study of Chalcogen Aspirin Derivatives with Carbonic Anhydrase Inhibitory Properties for Treating Inflammatory Pain.

ACS Med Chem Lett 15: 1559-1565

University of Florence

2D 3D TSV

Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2) as Treatment for Inflammatory Diseases.

ACS Med Chem Lett 15: 1421-1423

PI Health Sciences

2D 3D TSV

Synthesis and Optimization of Small Molecule Inhibitors of Prostate Specific Antigen.

ACS Med Chem Lett 15: 1526-1532

University of Missouri - Columbia

2D 3D TSV

Virtual Screening and Molecular Docking: Discovering Novel METTL3 Inhibitors.

ACS Med Chem Lett 15: 1491-1499

Hangzhou Medical College

2D 3D TSV

Current Trends in Psychedelic Science: Integrating Modified Lysergic Acid Derivatives and Psilocybin in Modern Medicine.

ACS Med Chem Lett 15: 1443-1445

Usona Institute

2D 3D TSV

Quinolinonyl Derivatives as Dual Inhibitors of the HIV-1 Integrase Catalytic Site and Integrase-RNA interactions.

ACS Med Chem Lett 15: 1533-1540

"Sapienza" Universita di Roma

2D 3D TSV

Highly Selective Novel Heme Oxygenase-1 Hits Found by DNA-Encoded Library Machine Learning beyond the DEL Chemical Space.

ACS Med Chem Lett 15: 1456-1466

WuXi AppTec (Shanghai) Co., Ltd.

2D 3D TSV

Side Chain Investigation of Imidazopyridazine as a Hinge Binder for Targeting Actionable Mutations of RET Kinase.

ACS Med Chem Lett 15: 1566-1574

Gachon University

2D 3D TSV

Asymmetric Dirhodium-Catalyzed Modification of Immunomodulatory Imide Drugs and Their Biological Assessment.

ACS Med Chem Lett 15: 1575-1583

Emory University

2D 3D TSV

Advancements in Targeted Therapeutics: Integrating Metabolic Modulation, Immune Engineering, and Biologic Formulation Technologies.

ACS Med Chem Lett 15: 1430-1432

Usona Institute

2D 3D TSV

Enhanced Recognition Memory through Dual Modulation of Brain Carbonic Anhydrases and Cholinesterases.

J Med Chem 67: 16873-16898

University of Florence

2D 3D TSV

Discovery, synthesis and biological evaluation of novel isoquinoline derivatives as potent indoleamine 2, 3-dioxygenase 1 and tryptophan 2, 3-dioxygenase dual inhibitors.

Eur J Med Chem 279:

Sichuan University

2D 3D TSV

Anticancer potential of active alkaloids and synthetic analogs derived from marine invertebrates.

Eur J Med Chem 279:

Chengdu University of Traditional Chinese Medicine

2D 3D TSV

Targeting Thyroid-Stimulating Hormone Receptor: A Perspective on Small-Molecule Modulators and Their Therapeutic Potential.

J Med Chem 67: 16018-16034

Shanghai Institute of Materia Medica

2D 3D TSV

Design, Synthesis, and Bioevaluation of Novel NLRP3 Inhibitor with IBD Immunotherapy from the Virtual Screen.

J Med Chem 67: 16612-16634

Fudan University

2D 3D TSV

Discovery of 2-Aryl-4-aminoquinazolin-Based LSD1 Inhibitors to Activate Immune Response in Gastric Cancer.

J Med Chem 67: 16165-16184

Zhengzhou University

2D 3D TSV

Development of a First-in-Class DNMT1/HDAC Inhibitor with Improved Therapeutic Potential and Potentiated Antitumor Immunity.

J Med Chem 67: 16480-16504

Shandong University

2D 3D TSV

Inhibition of the EphA2-Sam/Ship2-Sam Association through Peptide Ligands: Studying the Combined Effect of Charge and Aromatic Character.

J Med Chem 67: 16649-16663

Institute of Biostructures and Bioimaging

2D 3D TSV

Preclinical Evaluation of Dihydropyrazole-Cored Positron Emission Tomography (PET) Ligands for Imaging of Receptor-Interacting Serine/Threonine Protein Kinase 1 (RIPK1) in the Brain.

J Med Chem 67: 16403-16415

Beijing Normal University

2D 3D TSV

Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.

J Med Chem 67: 16737-16756

Tyra Biosciences, Inc.

2D 3D TSV

Tuning RXR Modulators for PGC1α Recruitment.

J Med Chem 67: 16338-16354

Ludwig-Maximilians-Universitat (LMU) Munchen

2D 3D TSV

Targeting HSP90 for Cancer Therapy: Current Progress and Emerging Prospects.

J Med Chem 67: 15968-15995

Sichuan University

2D 3D TSV

Contilisant+Tubastatin A Hybrids: Polyfunctionalized Indole Derivatives as New HDAC Inhibitor-Based Multitarget Small Molecules with In Vitro and In Vivo Activity in Neurodegenerative Diseases.

J Med Chem 67: 16533-16555

Institute of General Organic Chemistry (CSIC)

2D 3D TSV

Structure-Activity Relationship of Inositol Thiophosphate Analogs as Allosteric Activators of Clostridioides difficile Toxin B.

J Med Chem 67: 16576-16597

McGill University

2D 3D TSV

A Lysosome-Targeting hNEU1 Inhibitor Treats Myocardial Infarction: A Potential Therapeutic Breakthrough.

J Med Chem 67: 16899-16911

Southeast University

2D 3D TSV

The "Doorstop Pocket" In Thioredoxin Reductases─An Unexpected Druggable Regulator of the Catalytic Machinery.

J Med Chem 67: 15947-15967

University of L'Aquila

2D 3D TSV

Structure, Function, and Activity of Small Molecule and Peptide Inhibitors of Protein Arginine Methyltransferase 1.

J Med Chem 67: 15931-15946

University of Manitoba

2D 3D TSV

NRF2 inhibitors: Recent progress, future design and therapeutic potential.

Eur J Med Chem 279:

Nanjing University of Chinese Medicine

2D 3D TSV

Merging Natural Product Structures with Pharmaceutical Leads: Unnatural Enantiomers of Estranes as Glucocorticoid Receptor Modulators That Suppress TNF-α and IL-6 Release.

J Med Chem 67: 16185-16194

The Scripps Research Institute

2D 3D TSV

Development of Tailless Homologue Receptor (TLX) Agonist Chemical Tools.

J Med Chem 67: 16598-16611

Ludwig-Maximilians-Universitat (LMU) Munchen

2D 3D TSV

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity.

J Med Chem 67: 16505-16532

University of North Carolina at Chapel Hill

2D 3D TSV

Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.

J Med Chem 67: 16807-16819

Merck & Co.

2D 3D TSV

Heat Shock Protein 90 Interactome-Mediated Proteolysis Targeting Chimera (HIM-PROTAC) Degrading Glutathione Peroxidase 4 to Trigger Ferroptosis.

J Med Chem 67: 16712-16736

Hangzhou Institute of Medicine (HIM)

2D 3D TSV

Discovery of a Highly Potent and Selective Inhibitor Targeting Protein Lysine Methyltransferase NSD2.

J Med Chem 67: 16056-16071

Sun Yat-Sen University

2D 3D TSV

Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.

J Med Chem 67: 15780-15795

Sichuan Kelun-Biotech Biopharmaceutical

2D 3D TSV

Undescribed Amaryllidaceae Alkaloids from Zephyranthes citrina and Their Cytotoxicity.

J Nat Prod 87: 2317-2326

Charles University

2D 3D TSV

Natural Product-Inspired Discovery of Naphthoquinone-Furo-Piperidine Derivatives as Novel STAT3 Inhibitors for the Treatment of Triple-Negative Breast Cancer.

J Med Chem 67: 15291-15310

Zhejiang University

2D 3D TSV

Structural Optimization and Structure-Activity Relationship of 1H-Pyrazole-4-carboxylic Acid Derivatives as DNA 6mA Demethylase ALKBH1 Inhibitors and Their Antigastric Cancer Activity.

J Med Chem 67: 15456-15475

Sichuan University

2D 3D TSV

Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-β) Agonist for the Treatment of MASH.

J Med Chem 67: 14840-14851

Aligos Belgium BV

2D 3D TSV

Structure-Based Design and Development of Phosphine Oxides as a Novel Chemotype for Antibiotics that Dysregulate Bacterial ClpP Proteases.

J Med Chem 67: 15131-15147

University of Toronto

2D 3D TSV

Design, synthesis and biological evaluation of N-salicyloyl tryptamine derivatives as multifunctional neuroprotectants for the treatment of ischemic stroke.

Eur J Med Chem 278:

University of South China

2D 3D TSV

Development of peptoid-based heteroaryl-decorated histone deacetylase (HDAC) inhibitors with dual-stage antiplasmodial activity.

Eur J Med Chem 277:

University of Bonn

2D 3D TSV

Discovery of novel BCL6-Targeting PROTACs with effective antitumor activities against DLBCL in vitro and in vivo.

Eur J Med Chem 277:

East China Normal University

2D 3D TSV

Discovery of novel dihydropyrrolidone-thiadiazole compound crosstalk between the YycG/F two-component regulatory pathway and cell membrane homeostasis to combat methicillin-resistant Staphylococcus aureus.

Eur J Med Chem 277:

Nanjing Tech University

2D 3D TSV

Structure-Activity Relationship Studies of Substituted 2-Phenyl-1,2,4-triazine-3,5(2H,4H)-dione Analogues: Development of Potent eEF2K Degraders against Triple-Negative Breast Cancer.

J Med Chem 67: 15837-15861

Soochow University

2D 3D TSV

Harnessing Nitric Oxide-Donating Benzofuroxans for Targeted Inhibition of Carbonic Anhydrase IX in Cancer.

J Med Chem 67: 15892-15907

University of Florence

2D 3D TSV

Design, Synthesis, and Biological Evaluation of Potent EZH2/LSD1 Dual Inhibitors for Prostate Cancer.

J Med Chem 67: 15586-15605

Sun Yat-sen University Cancer Center

2D 3D TSV

Nonlipogenic ABCA1 Inducers (NLAI) for Alzheimer's Disease Validated in a Mouse Model Expressing Human APOE3/APOE4.

J Med Chem 67: 15061-15079

University of Arizona

2D 3D TSV

A Mitochondria-Targeting SIRT3 Inhibitor with Activity against Diffuse Large B Cell Lymphoma.

J Med Chem 67: 15428-15437

Cornell University

2D 3D TSV

Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.

J Med Chem 67: 15521-15536

University of Cambridge

2D 3D TSV

Exploring Degradation of Intrinsically Disordered Protein Yes-Associated Protein Induced by Proteolysis TArgeting Chimeras.

J Med Chem 67: 15168-15198

University of Florida

2D 3D TSV

Cellular, Structural Basis, and Recent Progress for Targeting Murine Double Minute X (MDMX) in Tumors.

J Med Chem 67: 14723-14741

Yantai University

2D 3D TSV

Discovery of Novel Neo-Clerodane Derivatives as Potent Dual-Functional Antiosteoporosis Agents through Targeting Peroxisome Proliferator-Activated Receptor-γ.

J Med Chem 67: 15738-15755

Sun Yat-sen University

2D 3D TSV

Discovery of Covalent MLKL PROTAC Degraders via Optimization of a Theophylline Derivative Ligand for Treating Necroptosis.

J Med Chem 67: 15353-15372

China Pharmaceutical University

2D 3D TSV

Regulation of protein phosphorylation by PTPN2 and its small-molecule inhibitors/degraders as a potential disease treatment strategy.

Eur J Med Chem 277:

China Pharmaceutical University

2D 3D TSV

Discovery of Novel 2-Aminopyridine-Based and 2-Aminopyrimidine-Based Derivatives as Potent CDK/HDAC Dual Inhibitors for the Treatment of Refractory Solid Tumors and Hematological Malignancies.

J Med Chem 67: 15220-15245

University of Chinese Academy of Sciences

2D 3D TSV

Discovery of Dehydrogenated Imipridone Derivatives as Activators of Human Caseinolytic Protease P.

J Med Chem 67: 15328-15352

China Pharmaceutical University

2D 3D TSV

The Missing Link(er): A Roadmap to Macrocyclization in Drug Discovery.

J Med Chem 67: 14768-14785

Technical University of Darmstadt

2D 3D TSV

Discovery of Potent, Specific, and Orally Available NLRP3 Inflammasome Inhibitors Based on Pyridazine Scaffolds for the Treatment of Septic Shock and Peritonitis.

J Med Chem 67: 15711-15737

Sichuan University

2D 3D TSV

Discovery of potent HIV-1 NNRTIs by CuAAC click-chemistry-based miniaturized synthesis, rapid screening and structure optimization.

Eur J Med Chem 277:

Shandong University

2D 3D TSV

Design, Synthesis, and Biological Evaluation of 5-Amino-4-fluoro-1H-benzo[d]imidazole-6-carboxamide Derivatives as Novel and Potential MEK/RAF Complex Inhibitors Based on the "Clamp" Strategy.

J Med Chem 67: 15246-15267

Sichuan University

2D 3D TSV

Indole-core inhibitors of influenza a neuraminidase: iterative medicinal chemistry and molecular modeling.

Eur J Med Chem 277:

Federal Research Centre "Fundamentals of Biotechnology" of the Russian Academy of Sciences (Research Centre of Biotechnology RAS)

2D 3D TSV

Discovery of novel 2-substituted 2, 3-dihydroquinazolin-4(1H)-one derivatives as tubulin polymerization inhibitors for anticancer therapy: The in vitro and in vivo biological evaluation.

Eur J Med Chem 277:

Renmin Hospital of Wuhan University

2D 3D TSV

Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1-Amplified Breast Cancer.

J Med Chem 67: 15816-15836

Jinan University

2D 3D TSV

Development of Nitric Oxide-Donating Netarsudil Derivatives as a Synergistic Therapy for Glaucoma with Reduced Ocular Irritation.

J Med Chem 67: 16311-16327

China Pharmaceutical University

2D 3D TSV

Discovery of Pyrazolo[1,5-a]pyridine Derivatives as Potent and Selective PI3Kγ/δ Inhibitors.

J Med Chem 67: 15199-15219

Chinese Academy of Sciences

2D 3D TSV

Investigating Active Site Binding of Ligands to High and Low Activity Carbonic Anhydrase Enzymes Using Native Mass Spectrometry.

J Med Chem 67: 15862-15872

Griffith University

2D 3D TSV

Rational Design of a Novel 6H-Benzo[c]chromen Series as Selective PI3Kα Inhibitors.

J Med Chem 67: 15387-15410

Xi'an Jiaotong University

2D 3D TSV

Discovery of a Covalent Inhibitor of Pro-Caspase-1 Zymogen Blocking NLRP3 Inflammasome Activation and Pyroptosis.

J Med Chem 67: 15873-15891

Chinese Academy of Sciences

2D 3D TSV

Optimization of potent, broad-spectrum, and specific anti-influenza compounds targeting RNA polymerase PA-PB1 heterodimerization.

Eur J Med Chem 277:

University of Padua

2D 3D TSV

Design, Synthesis, and Biological Activity of Novel Quinone Derivatives as Potent STAT3 Inhibitors for Psoriasis Treatment.

J Med Chem 67: 15438-15455

Central South University

2D 3D TSV

Evo312: An Evodiamine Analog and Novel PKCβI Inhibitor with Potent Antitumor Activity in Gemcitabine-Resistant Pancreatic Cancer.

J Med Chem 67: 14885-14911

Seoul National University

2D 3D TSV

Methyl-Transferase-Like Protein 16 (METTL16): The Intriguing Journey of a Key Epitranscriptomic Player Becoming an Emerging Biological Target.

J Med Chem 67: 14786-14806

University of Naples Federico II

2D 3D TSV

Small Molecular Inhibitors That Target ATM for Drug Discovery: Current Research and Potential Prospective.

J Med Chem 67: 14742-14767

Sichuan University

2D 3D TSV

Recent insights of PROTAC developments in inflammation-mediated and autoimmune targets: a critical review.

RSC Med Chem 15: 2585-2600

National Institute of Pharmaceutical Education and Research (NIPER) Hyderabad

2D 3D TSV

New pyrazole-pyridazine hybrids as selective COX-2 inhibitors: design, synthesis, molecular docking, in silico studies and investigation of their anti-inflammatory potential by evaluation of TNF-α, IL-6, PGE-2 and NO in LPS-induced RAW264.7 macrophages.

RSC Med Chem 15: 2692-2708

Cairo University

2D 3D TSV

Phenylstyrylpyrimidine derivatives as potential multipotent therapeutics for Alzheimer's disease.

RSC Med Chem 15: 2922-2936

Central University of Punjab

2D 3D TSV

Targeted suppression of oral squamous cell carcinoma by pyrimidine-tethered quinoxaline derivatives.

RSC Med Chem 15: 2729-2744

National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A)

2D 3D TSV

Antitubercular evaluation of dihydropyridine-triazole conjugates: design, synthesis, in vitro screening, SAR and in silico ADME predictions.

RSC Med Chem 15: 2867-2881

CSIR-Central Drug Research Institute

2D 3D TSV

Discovery of novel coumarin triazolyl and phenoxyphenyl triazolyl derivatives targeting amyloid beta aggregation-mediated oxidative stress and neuroinflammation for enhanced neuroprotection.

RSC Med Chem 15: 2745-2765

Mahidol University

2D 3D TSV

Design, synthesis and biological evaluation of arylsulfonamides as ADAMTS7 inhibitors.

RSC Med Chem 15: 2806-2825

University of Pisa

2D 3D TSV

Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; synthesis, evaluation, and molecular modelling studies.

RSC Med Chem 15: 2937-2958

King Saud University

2D 3D TSV

Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.

J Med Chem 67: 14986-15011

University of Bonn

2D 3D TSV

Allosteric Activation of Protein Phosphatase 5 with Small Molecules.

J Med Chem 67: 15080-15097

China Pharmaceutical University

2D 3D TSV

Discovery of a Novel Benzimidazole Derivative Targeting Histone Deacetylase to Induce Ferroptosis and Trigger Immunogenic Cell Death.

J Med Chem 67: 15098-15117

Shandong University

2D 3D TSV

Targeting Solvent-Front Mutations for Kinase Drug Discovery: From Structural Basis to Design Strategies.

J Med Chem 67: 14702-14722

Jinan University

2D 3D TSV

Design, synthesis and bioactivity evaluation of isobavachin derivatives as hURAT1 inhibitors for hyperuricemia agents.

Eur J Med Chem 277:

Southern Medical University

2D 3D TSV

Acroamine A, a 2-Amino Adenine Alkaloid from the Marine Soft Coral Acrozoanthus australiae and Its Semisynthetic Derivatives That Inhibit cAMP-Dependent Protein Kinase A Catalytic Subunit Alpha.

J Nat Prod 87: 2014-2020

National Cancer Institute

2D 3D TSV

Design and Evaluation of 3-Phenyloxetane Derivative Agonists of the Glucagon-Like Peptide-1 Receptor.

J Med Chem 67: 14820-14839

Huadong Medicine Company Limited

2D 3D TSV

Small Molecules Blocking the Assembly of TCAB1 and Telomerase Complexes: Lead Discovery and Biological Activity.

ACS Med Chem Lett 15: 1205-1212

Anhui University of Chinese Medicine

2D 3D TSV

Design, Synthesis, and Biological Evaluation of 2,4-Diaminopyrimidine Derivatives as Potent CDK7 Inhibitors.

ACS Med Chem Lett 15: 1213-1220

Shanghai Institute of Materia Medica

2D 3D TSV

Novel Compounds as NLRP3 Inhibitors for Treating Cardiovascular Diseases.

ACS Med Chem Lett 15: 1184-1185

Smith, Gambrell & Russell

2D 3D TSV

Novel Papain-Like Protease Inhibitors for Treating Viral Infections, in particular, Coronavirus Infections.

ACS Med Chem Lett 15: 1186-1187

Smith, Gambrell & Russell

2D 3D TSV

Treatment of Metabolic Disorders Using Novel DGAT2 Inhibitors: Pyrazolopyridine and Triazolopyridine Derivatives.

ACS Med Chem Lett 15: 1199-1200

Usona Institute

2D 3D TSV

Design and Assessment of First-Generation Heterobifunctional PPARα/STING Modulators.

ACS Med Chem Lett 15: 1279-1286

University of Minnesota

2D 3D TSV

Novel Cyanopyridine Compounds as KHK Inhibitors for Treating NAFLD, NASH, and Type II Diabetes.

ACS Med Chem Lett 15: 1191-1192

Smith, Gambrell & Russell

2D 3D TSV

Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro).

ACS Med Chem Lett 15: 1351-1357

Vanderbilt University

2D 3D TSV

Novel Compounds as NLRP3 Inhibitors for Treating Alzheimer's Disease and Parkinson's Disease.

ACS Med Chem Lett 15: 1203-1204

Smith, Gambrell & Russell

2D 3D TSV

Chemical Probes to Investigate Central Nervous System Disorders: Design, Synthesis and Mechanism of Action of a Potent Human Serine Racemase Inhibitor.

ACS Med Chem Lett 15: 1298-1305

University of Parma

2D 3D TSV

Ligand-Based Pharmacophoric Design and Anti-inflammatory Evaluation of Triazole Linked Semisynthetic Labdane Conjugates.

ACS Med Chem Lett 15: 1260-1268

CSIR-National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

2D 3D TSV

Innovative Therapeutic Approaches Targeting K-Ras: Analysis of Macrocyclic Compounds, Peptidomimetics, and Pyridopyrimidine Inhibitors.

ACS Med Chem Lett 15: 1196-1198

Usona Institute

2D 3D TSV

Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.

ACS Med Chem Lett 15: 1232-1241

Merck & Co.

2D 3D TSV

Discovery and Characterization of a Chemical Probe for Cyclin-Dependent Kinase-Like 2.

ACS Med Chem Lett 15: 1325-1333

University of North Carolina at Chapel Hill

2D 3D TSV

Novel Imidazopyridine and Imidazopyridazine Derivatives as DGAT2 Inhibitors for Treating Multiple Diseases.

ACS Med Chem Lett 15: 1180-1181

Smith, Gambrell & Russell

2D 3D TSV

Galectin-8N-Selective 4-Halophenylphthalazinone-Galactals Double π-Stack in a Unique Pocket.

ACS Med Chem Lett 15: 1319-1324

Lund University

2D 3D TSV

Development of Novel Bacterial Topoisomerase Inhibitors Assisted by Computational Screening.

ACS Med Chem Lett 15: 1287-1297

Ohio State University

2D 3D TSV

A comprehensive review of new small molecule drugs approved by the FDA in 2022: Advance and prospect.

Eur J Med Chem 277:

Children's Hospital Affiliated to Zhengzhou University

2D 3D TSV

Synthesis and Biological Evaluation of Pyrazole-Pyrimidones as a New Class of Correctors of the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR).

J Med Chem 67: 13891-13908

University of Padova

2D 3D TSV

Synthesis and Biological Evaluation of Novel Psidium Meroterpenoid Derivatives against Cisplatin-Induced Acute Kidney Injury.

J Med Chem 67: 14234-14255

Peking Union Medical College

2D 3D TSV

Dual 5-HT2A and 5-HT2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.

J Med Chem 67: 14478-14492

Shionogi Pharmaceutical Research Center

2D 3D TSV

Identification of an m6A Natural Inhibitor, Lobeline, That Reverses Lenvatinib Resistance in Hepatocellular Tumors.

J Nat Prod 87: 1983-1993

The First Hospital of China Medical University

2D 3D TSV

Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.

J Med Chem 67: 14432-14442

St. Jude Children'S Research Hospital

2D 3D TSV

Design and Synthesis of 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid Derivatives as PP5 Inhibitors To Reverse Temozolomide Resistance in Glioblastoma Multiforme.

J Med Chem 67: 15691-15710

China Pharmaceutical University

2D 3D TSV

Property and Activity Refinement of Dihydroquinazolinone-3-carboxamides as Orally Efficacious Antimalarials that Target PfATP4.

J Med Chem 67: 14493-14523

The University of Melbourne

2D 3D TSV

Discovery of pyrrolo[2,3-d]pyrimidin-4-one derivative YCH3124 as a potent USP7 inhibitor for cancer therapy.

Eur J Med Chem 277:

Shanghai Institute of Materia Medica

2D 3D TSV

Domoic Acid as a Lead for the Discovery of the First Selective Ligand for Kainate Receptor Subtype 5 (GluK5).

J Med Chem 67: 14524-14542

University of Copenhagen

2D 3D TSV

Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.

J Med Chem 67: 14210-14233

AstraZeneca

2D 3D TSV

Discovery of CW-3308 as a Potent, Selective, and Orally Efficacious PROTAC Degrader of BRD9.

J Med Chem 67: 14125-14154

University of Michigan

2D 3D TSV

Discovering New Metallo-Deubiquitinase CSN5 Inhibitors by a Non-Catalytic Activity Assay Platform.

J Med Chem 67: 14649-14667

Sichuan University

2D 3D TSV

Discovery of Novel Mcl-1 Inhibitors with a 3-Substituted-1H-indole-1-yl Moiety Binding to the P1-P3 Pockets to Induce Apoptosis in Acute Myeloid Leukemia Cells.

J Med Chem 67: 13925-13958

Shenyang Pharmaceutical University

2D 3D TSV

Exploring 2-Sulfonylpyrimidine Warheads as Acrylamide Surrogates for Targeted Covalent Inhibition: A BTK Story.

J Med Chem 67: 13572-13593

University of Southampton

2D 3D TSV

A First-in-Class Pyrazole-isoxazole Enhanced Antifungal Activity of Voriconazole: Synergy Studies in an Azole-Resistant Candida albicans Strain, Computational Investigation and in Vivo Validation in a Galleria mellonella Fungal Infection Model.

J Med Chem 67: 14256-14276

University of Naples Federico II

2D 3D TSV

Distinct Amino Acid-Based PROTACs Target Oncogenic Kinases for Degradation in Non-Small Cell Lung Cancer (NSCLC).

J Med Chem 67: 13666-13680

Southern University of Science and Technology

2D 3D TSV

Design, synthesis, and optimization of novel PD-L1 inhibitors and the identification of a highly potent and orally bioavailable PD-L1 inhibitor.

Eur J Med Chem 277:

Chulalongkorn University

2D 3D TSV

Natural Derivatives of Selective HDAC8 Inhibitors with Potent in Vivo Antitumor Efficacy against Breast Cancer.

J Med Chem 67: 14609-14632

Zhejiang University

2D 3D TSV

Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.

J Med Chem 67: 13534-13549

Jacobio Pharmaceuticals

2D 3D TSV

Discovery of 4-(Arylethynyl)piperidine Derivatives as Potent Nonsaccharide O-GlcNAcase Inhibitors for the Treatment of Alzheimer's Disease.

J Med Chem 67: 14292-14312

Chinese Academy of Medical Sciences and Peking Union Medical College

2D 3D TSV

Discovery of a Potent and Orally Bioavailable Xanthine Oxidase/Urate Transporter 1 Dual Inhibitor as a Potential Treatment for Hyperuricemia and Gout.

J Med Chem 67: 14668-14691

HEC Research and Development Center

2D 3D TSV

Thioamides in medicinal chemistry and as small molecule therapeutic agents.

Eur J Med Chem 277:

University of Michigan

2D 3D TSV

Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.

J Med Chem 67: 14543-14552

Albert Einstein College of Medicine

2D 3D TSV

Development of VU6036864: A Triazolopyridine-Based High-Quality Antagonist Tool Compound of the M5 Muscarinic Acetylcholine Receptor.

J Med Chem 67: 14394-14413

Vanderbilt University

2D 3D TSV

Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy.

J Med Chem 67: 14443-14465

Gwangju Institute of Science and Technology

2D 3D TSV

Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.

J Med Chem 67: 14370-14393

Vanderbilt University School of Medicine

2D 3D TSV

Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione.

J Med Chem 67: 14184-14199

Bristol Myers Squibb

2D 3D TSV

Discovery of Novel Imidazo[1,2-a]pyridine-Based HDAC6 Inhibitors as an Anticarcinogen with a Cardioprotective Effect.

J Med Chem 67: 14345-14369

Zhengzhou University

2D 3D TSV

Non-Covalent Inhibitors of SARS-CoV-2 Papain-Like Protease (PLpro): In Vitro and In Vivo Antiviral Activity.

J Med Chem 67: 13681-13702

University of Arizona

2D 3D TSV

Bioisosteres at C9 of 2-Deoxy-2,3-didehydro-N-acetyl Neuraminic Acid Identify Selective Inhibitors of NEU3.

J Med Chem 67: 13594-13603

University of Alberta

2D 3D TSV

Discovery of novel N2-indazole derivatives as phosphodiesterase 4 inhibitors for the treatment of inflammatory bowel disease.

Eur J Med Chem 277:

Southern Medical University

2D 3D TSV

GPX4 allosteric activators inhibit ferroptosis and exert myocardial protection in doxorubicin-induced myocardial injury mouse model.

Eur J Med Chem 277:

Peking University

2D 3D TSV

Identification and Characterization of a Blood-Brain Barrier Penetrant Inositol Hexakisphosphate Kinase (IP6K) Inhibitor.

J Med Chem 67: 13639-13665

Johns Hopkins School of Medicine

2D 3D TSV

Novel EGFR inhibitors against resistant L858R/T790M/C797S mutant for intervention of non-small cell lung cancer.

Eur J Med Chem 277:

Nankai University

2D 3D TSV

FLT3-PROTACs for combating AML resistance: Analytical overview on chimeric agents developed, challenges, and future perspectives.

Eur J Med Chem 277:

Ain Shams University

2D 3D TSV

Hydrazides as Inhibitors of Histone Deacetylases.

J Med Chem 67: 13512-13533

Universidade de Lisboa

2D 3D TSV

Exploration of Hydrazide-Based HDAC8 PROTACs for the Treatment of Hematological Malignancies and Solid Tumors.

J Med Chem 67: 14016-14039

University of Groningen

2D 3D TSV

Structure-based screening, optimization and biological evaluation of novel chrysin-based derivatives as selective PPARγ modulators for the treatment of T2DM and hepatic steatosis.

Eur J Med Chem 276:

Guangzhou Medical University

2D 3D TSV

Identification of 6,9-dihydro-5H-pyrrolo[3,2-h]quinazolines as a new class of F508del-CFTR correctors for the treatment of cystic fibrosis.

Eur J Med Chem 276:

University of Palermo

2D 3D TSV

Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening.

J Med Chem 67: 13788-13801

Freie Universitat Berlin

2D 3D TSV

Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.

J Med Chem 67: 14466-14477

Pfizer

2D 3D TSV

Discovery of an Exceptionally Orally Bioavailable and Potent HPK1 PROTAC with Enhancement of Antitumor Efficacy of Anti-PD-L1 Therapy.

J Med Chem 67: 13852-13878

Zhejiang University

2D 3D TSV

Design, synthesis, and biological evaluation of novel 1-amido-2-one-4-thio-deoxypyranose as potential antitumor agents for multiple myeloma.

Bioorg Med Chem 111:

Chinese Academy of Sciences

2D 3D TSV

Discovery of Novel Azaphenothiazine Derivatives to Suppress Endometrial Cancer by Targeting GRP75 to Impair Its Interaction with IP3R and Mitochondrial Ca2+ Homeostasis.

J Med Chem 67: 13829-13851

East China University of Science and Technology

2D 3D TSV

Halogen Bonding Hot Spots as a Constraint in Virtual Screening: A Case Study of 5-HT7R.

J Med Chem 67: 14007-14015

Polish Academy of Sciences

2D 3D TSV

Structural Optimization of Oxaprozin for Selective Inverse Nurr1 Agonism.

J Med Chem 67: 13324-13348

Ludwig-Maximilians-University of Munich

2D 3D TSV

Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.

J Med Chem 67: 13604-13638

AstraZeneca

2D 3D TSV

Synthesis of furanotriterpenoids from betulin and evaluation of Tyrosyl-DNA phosphodiesterase 1 (Tdp1) inhibitory properties of new semi-synthetic triterpenoids.

Eur J Med Chem 276:

Institute of Technical Chemistry UB RAS

2D 3D TSV

Structural and Physicochemical Features of Oral PROTACs.

J Med Chem 67: 13106-13116

AstraZeneca

2D 3D TSV

Genomic Discovery and Structure-Activity Exploration of a Novel Family of Enzyme-Activated Covalent Cyclin-Dependent Kinase Inhibitors.

J Med Chem 67: 13147-13173

LifeMine Therapeutics

2D 3D TSV

Identification of the Clinical Candidate PF-07284890 (ARRY-461), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer.

J Med Chem 67: 13019-13032

Enliven Therapeutics

2D 3D TSV

Hit-to-Lead Optimization of Heterocyclic Carbonyloxycarboximidamides as Selective Antagonists at Human Adenosine A3 Receptor.

J Med Chem 67: 13117-13146

University of Cambridge

2D 3D TSV

Discovery of Novel Nonpeptidic and Noncovalent Small Molecule 3CLpro Inhibitors as anti-SARS-CoV-2 Drug Candidate.

J Med Chem 67: 12760-12783

University of Chinese Academy of Sciences

2D 3D TSV

N-acylbenzimidazoles as selective Acylators of the catalytic cystein of the coronavirus 3CL protease.

Eur J Med Chem 276:

Univ. Lille

2D 3D TSV

Antibody-drug conjugates for targeted cancer therapy: Recent advances in potential payloads.

Eur J Med Chem 276:

Shaoxing University

2D 3D TSV

Design, synthesis, and biological evaluation of novel highly selective non-carboxylic acid FABP1 inhibitors.

Eur J Med Chem 276:

Guangdong Pharmaceutical University

2D 3D TSV

Biological and structural investigation of tetrahydro-β-carboline-based selective HDAC6 inhibitors with improved stability.

Eur J Med Chem 276:

University of Regensburg

2D 3D TSV

Design, Synthesis and Antitumor Activity of a Novel Class of SHP2 Allosteric Inhibitors with a Furanyl Amide-Based Scaffold.

J Med Chem 67: 13305-13323

Shandong University

2D 3D TSV

Discovery and Optimization of Hsp110 and sGC Dual-Target Regulators for the Treatment of Pulmonary Arterial Hypertension.

J Med Chem 67: 13474-13490

Central South University

2D 3D TSV

Bipyridine Derivatives as NOP2/Sun RNA Methyltransferase 3 Inhibitors for the Treatment of Colorectal Cancer.

J Med Chem 67: 13446-13473

Zhejiang University

2D 3D TSV

Development of narrow-spectrum topoisomerase-targeting antibacterials against mycobacteria.

Eur J Med Chem 276:

University of Ljubljana

2D 3D TSV

Exploring monocyclic core: Discovery of pyrrol-2-one derivatives as a new series of potent MCHR1 antagonists with in vivo efficacy.

Eur J Med Chem 276:

Biocon-Bristol Myers Squibb Research and Development Centre

2D 3D TSV

Design, synthesis and biological evaluation of novel SIRT3 inhibitors targeting both NAD+ and substrate binding sites for the treatment of acute myeloid leukemia.

Eur J Med Chem 276:

Shihezi University

2D 3D TSV

Disulfide bond replacement with non-reducible side chain to tail macrolactamization for the development of potent and selective CXCR4 peptide antagonists endowed with flanking binding sites.

Eur J Med Chem 276:

University of Naples "Federico II"

2D 3D TSV

Discovery of Preclinical Candidate AD1058 as a Highly Potent, Selective, and Brain-Penetrant ATR Inhibitor for the Treatment of Advanced Malignancies.

J Med Chem 67: 12735-12759

Shanghai Institute of Materia Medica

2D 3D TSV

Peptidic Boronic Acid Plasmodium falciparum SUB1 Inhibitors with Improved Selectivity over Human Proteasome.

J Med Chem 67: 13033-13055

The Francis Crick Institute

2D 3D TSV

Undobolins A-L, Ophiobolin-Type Sesterterpenoids from Aspergillus undulatus.

J Nat Prod 87: 1965-1974

Huazhong University of Science and Technology

2D 3D TSV

Structure of Designer Antibody-like Peptides Binding to the Human C5a with Potential to Modulate the C5a Receptor Signaling.

J Med Chem 67: 14110-14124

Indian Institute of Technology Bhubaneswar

2D 3D TSV

Design, synthesis and biological evaluation of a new series of imidazothiazole-hydrazone hybrids as dual EGFR and Akt inhibitors for NSCLC therapy.

Eur J Med Chem 276:

Anadolu University

2D 3D TSV

Design, synthesis, and biological activity evaluation of novel HDAC3 selective inhibitors for combination with Venetoclax against acute myeloid leukemia.

Eur J Med Chem 276:

Ocean University of China

2D 3D TSV

Discovery and optimization of thiazole-based quorum sensing inhibitors as potent blockers of Pseudomonas aeruginosa pathogenicity.

Eur J Med Chem 276:

Helmholtz-Institute for Pharmaceutical Research Saarland (HIPS)

2D 3D TSV

New Class of Hsp90 C-Terminal Domain Inhibitors with Anti-tumor Properties against Triple-Negative Breast Cancer.

J Med Chem 67: 12984-13018

University of Ljubljana

2D 3D TSV

Discovery of ZJCK-6-46: A Potent, Selective, and Orally Available Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A Inhibitor for the Treatment of Alzheimer's Disease.

J Med Chem 67: 12571-12600

Shenyang Pharmaceutical University

2D 3D TSV

Discovery of Potent and Selective G9a Degraders for the Treatment of Pancreatic Cancer.

J Med Chem 67: 13271-13285

Shanghai Institute of Materia Medica

2D 3D TSV

A Comprehensive In Vitro Characterization of a New Class of Indole-Based Compounds Developed as Selective Haspin Inhibitors.

J Med Chem 67: 12711-12734

University of Salerno

2D 3D TSV

Natural Product-Inspired Dopamine Receptor Ligands.

J Med Chem 67: 12463-12484

City University of New York

2D 3D TSV

Discovery of Novel Pyrimidine-Based Derivatives as Nav1.2 Inhibitors with Efficacy in Mouse Models of Epilepsy.

J Med Chem 67: 12912-12931

University of Chinese Academy of Sciences

2D 3D TSV

Design, Synthesis, and Evaluation of the Selective and Orally Active LSD1 Inhibitor with the Potential of Treating Heart Failure.

J Med Chem 67: 13409-13434

Zhengzhou University

2D 3D TSV

Discovery of novel indazole derivatives as second-generation TRK inhibitors.

Eur J Med Chem 276:

Shenyang Pharmaceutical University

2D 3D TSV

7-Amino-3-phenyl-2-methyl-pyrazolopyrimidine derivatives inhibit human rhinovirus replication.

Eur J Med Chem 276:

Korea Research Institute of Chemical Technology

2D 3D TSV

Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.

Eur J Med Chem 276:

Zhejiang University

2D 3D TSV

Discovery of Novel HDAC3 Inhibitors with PD-L1 Downregulating/Degrading and Antitumor Immune Effects.

J Med Chem 67: 13067-13088

Southern Medical University

2D 3D TSV

Synthesis and evaluation of (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate analogs as competitive partial agonists of butyrophilin 3A1.

Eur J Med Chem 276:

University of Connecticut

2D 3D TSV

Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors.

J Med Chem 67: 12534-12552

Goethe University

2D 3D TSV

Rational In Silico Design of Selective TMPRSS6 Peptidomimetic Inhibitors via Exploitation of the S2 Subpocket.

J Med Chem 67: 12969-12983

Universite de Sherbrooke

2D 3D TSV

Impact of atropisomerism on a non-steroidal glucocorticoid receptor agonist.

RSC Med Chem 15: 2357-2371

WuXi AppTec

2D 3D TSV

Design and synthesis of chromene-1,2,3-triazole benzene sulfonamide hybrids as potent carbonic anhydrase-IX inhibitors against prostate cancer.

RSC Med Chem 15: 2440-2461

Taibah University

2D 3D TSV

Rational design of small-sized peptidomimetic inhibitors disrupting protein-protein interaction.

RSC Med Chem 15: 2212-2225

Ningxia Medical University

2D 3D TSV

Inhibition of DXR in the MEP pathway with lipophilic N-alkoxyaryl FR900098 analogs.

RSC Med Chem 15: 2422-2439

George Washington University

2D 3D TSV

Novel flexible biphenyl PfDHFR inhibitors with improved antimalarial activity.

RSC Med Chem 15: 2496-2507

National Center for Genetic Engineering and Biotechnology (BIOTEC)

2D 3D TSV

Design, synthesis, and anticancer assessment of structural analogues of (E)-1-((3,4,5-trimethoxybenzylidene)amino)-4-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]quinoxaline-2-carbonitrile (6b), an imidazo[1,2-a]quinoxaline-based non-covalent EGFR inhibitor.

RSC Med Chem 15: 2322-2339

Central University of Punjab

2D 3D TSV

Synthesis and in vitro evaluation of novel amino-phenylmethylene-imidazolone 5-HT2A receptor antagonists.

RSC Med Chem 15: 2508-2513

Independent Researcher

2D 3D TSV

Molecular understanding of the therapeutic potential of melanin inhibiting natural products.

RSC Med Chem 15: 2226-2253

Tianjin University

2D 3D TSV

N-Sulfonylphenoxazines as neuronal calcium ion channel blockers.

RSC Med Chem 15: 2400-2412

Monash University

2D 3D TSV

Synthesis of a new series of 4-pyrazolylquinolinones with apoptotic antiproliferative effects as dual EGFR/BRAFV600E inhibitors.

RSC Med Chem 15: 2538-2552

Princess Nourah bint Abdulrahman University

2D 3D TSV

Discovery of new 1,3-diphenylurea appended aryl pyridine derivatives as apoptosis inducers through c-MET and VEGFR-2 inhibition: design, synthesis, in vivo and in silico studies.

RSC Med Chem 15: 2553-2569

Tanta University

2D 3D TSV

Deuterium Editing of Small Molecules: A Case Study on Antitumor Activity of 1,4-Benzodiazepine-2,5-dione Derivatives.

J Med Chem 67: 12835-12854

Tsinghua University

2D 3D TSV

Discovery of a new 1-(phenylsulfonyl)-1H-indole derivative targeting the EphA2 receptor with antiproliferative activity on U251 glioblastoma cell line.

Eur J Med Chem 276:

Universita di Parma

2D 3D TSV

Discovery of Two Highly Selective Structurally Orthogonal Chemical Probes for Activin Receptor-like Kinases 1 and 2.

J Med Chem 67: 12632-12659

Johann Wolfgang Goethe-University

2D 3D TSV

1,3,5-Triazine as a promising scaffold in the development of therapeutic agents against breast cancer.

Eur J Med Chem 276:

Monash University Malaysia

2D 3D TSV

Farnesyl pyrophosphate synthase inhibitors with antiosteoporosis efficacy in ovariectomized rats: A mixed binding approach beyond bisphosphonates.

Eur J Med Chem 276:

National Research Centre

2D 3D TSV

Discovery of GS-7682, a Novel 4'-Cyano-Modified C-Nucleoside Prodrug with Broad Activity against Pneumo- and Picornaviruses and Efficacy in RSV-Infected African Green Monkeys.

J Med Chem 67: 12945-12968

Gilead Sciences

2D 3D TSV

Toward Precision Oncology: The Role of TPD in Targeting CDK2 and Beyond.

ACS Med Chem Lett 15: 1004-1006

Usona Institute

2D 3D TSV

Optimization of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors, Leading to the Potent DS08701581.

ACS Med Chem Lett 15: 1010-1016

Daiichi Sankyo Co., Ltd.

2D 3D TSV

Novel Heterocyclic Compounds as Monoacylglycerol Lipase Inhibitors for Treating Multiple Diseases.

ACS Med Chem Lett 15: 994-995

Smith, Gambrell & Russell

2D 3D TSV

Design Principle of Heparanase Inhibitors: A Combined In Vitro and In Silico Study.

ACS Med Chem Lett 15: 1032-1040

University of Florida

2D 3D TSV

Novel AHR Agonists for Treating Psoriasis and Atopic Dermatitis.

ACS Med Chem Lett 15: 996-997

Smith, Gambrell & Russell

2D 3D TSV

Synthesis and Evaluation of 1,3-Disubstituted Imidazolidine-2,4,5-triones as Inhibitors of Pyruvate Carboxylase.

ACS Med Chem Lett 15: 1088-1093

Marquette University

2D 3D TSV

The synthesis of 1,2,3-triazoles as binders of D-dopachrome tautomerase (D-DT) for the development of dual-targeting inhibitors.

Eur J Med Chem 276:

University of Groningen

2D 3D TSV

Novel neuroprotective 5,6-dihydropyrido[2',1':2,3]imidazo[4,5-c]quinoline derivatives acting through cholinesterase inhibition and CB2 signaling modulation.

Eur J Med Chem 276:

Palacky University Olomouc

2D 3D TSV

Molecular Transformers: Adaptive Multitarget Ligands for Esterase-Induced Transition from Analgesics to Anesthetics.

J Med Chem 67: 12349-12365

Sichuan University

2D 3D TSV

ERAP Inhibitors in Autoimmunity and Immuno-Oncology: Medicinal Chemistry Insights.

J Med Chem 67: 11597-11621

University of Lille

2D 3D TSV

Structure-Based Design and Discovery of a Potent and Cell-Active LC3A/B Covalent Inhibitor.

J Med Chem 67: 12184-12204

Fudan University

2D 3D TSV

Discovery of a Highly Potent Lysine Methyltransferases G9a/NSD2 Dual Inhibitor to Treat Solid Tumors.

J Med Chem 67: 16072-16087

Sun Yat-Sen University

2D 3D TSV

Identification of 6-Anilino Imidazo[4,5-c]pyridin-2-ones as Selective DNA-Dependent Protein Kinase Inhibitors and Their Application as Radiosensitizers.

J Med Chem 67: 12366-12385

University of Auckland

2D 3D TSV

Electrophile Determines Cellular Phenotypes among XPO1-Targeting Small Molecules.

J Med Chem 67: 12033-12054

Case Western Reserve University

2D 3D TSV

Discovery of the first selective, small-molecule GFRα2/3 inhibitors through DNA-encoded library technology.

Bioorg Med Chem Lett 110:

Cerevel Therapeutics

2D 3D TSV

Synthesis and biological evaluation of O4'-benzyl-hispidol derivatives and analogs as dual monoamine oxidase-B inhibitors and anti-neuroinflammatory agents.

Bioorg Med Chem 110:

Mansoura University

2D 3D TSV

Novel compounds with dual inhibition activity against SARS-CoV-2 critical enzymes RdRp and human TMPRSS2.

Eur J Med Chem 276:

University of Sharjah

2D 3D TSV

Discovery of bivalent small molecule degraders of cyclin-dependent kinase 7 (CDK7).

Eur J Med Chem 276:

Stanford University

2D 3D TSV

Chiral pyrrolidines as multipotent agents in Alzheimer and neurodegenerative diseases.

Bioorg Med Chem 110:

Universita degli Studi di Bari

2D 3D TSV

Design, synthesis, and anti-melanogenic efficacy of 2-mercaptobenzoxazoles with nanomolar tyrosinase activity inhibition.

Bioorg Med Chem 110:

Pusan National University

2D 3D TSV