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Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

Science 382: (2023)

Cornell University

2D 3D TSV

Novel Concept for Super-Soft Topical Drugs: Deactivation by an Enzyme-Induced Switch into an Inactive Conformation.

ACS Med Chem Lett 14: 841-845 (2023)

Novartis Institutes For Biomedical Research

2D 3D TSV

Novel Aryl Hydrocarbon Receptor Agonists for Treating Psoriasis.

ACS Med Chem Lett 14: 696-697 (2023)

Smith, Gambrell & Russell

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Covalent

ACS Med Chem Lett 14: 777-787 (2023)

Johannes Gutenberg University Mainz

2D 3D TSV

Design, Synthesis, and Structure-Activity Relationships of Biaryl Anilines as Subtype-Selective PPAR-alpha Agonists.

ACS Med Chem Lett 14: 766-776 (2023)

University of Minnesota

2D 3D TSV

-Aryl Indoles as a Novel Class of Potent Na

ACS Med Chem Lett 14: 788-793 (2023)

Daiichi Sankyo

2D 3D TSV

Discovery of Selective and Potent KRAS

ACS Med Chem Lett 14: 689-691 (2023)

Usona Institute

2D 3D TSV

Discovery of Novel Hydroxyimine-Tethered Benzenesulfonamides as Potential Human Carbonic Anhydrase IX/XII Inhibitors.

ACS Med Chem Lett 14: 810-819 (2023)

Jamia Millia Islamia

2D 3D TSV

Design and Synthesis of Pyrazole-Based Macrocyclic Kinase Inhibitors Targeting BMPR2.

ACS Med Chem Lett 14: 833-840 (2023)

Johann Wolfgang Goethe-University

2D 3D TSV

TMPRSS2 Inhibitor Discovery Facilitated through an

ACS Med Chem Lett 14: 860-866 (2023)

University of Michigan

2D 3D TSV

CitA activity is modulated by cysteine oxidation and pyruvate binding.

RSC Med Chem 14: 921-933 (2023)

University of Nebraska

2D 3D TSV

Insights into targeting SARS-CoV-2: design, synthesis,

RSC Med Chem 14: 899-920 (2023)

Egyptian Russian University

2D 3D TSV

Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor.

RSC Med Chem 14: 934-946 (2023)

University of Cambridge

2D 3D TSV

Improving binding entropy by higher ligand symmetry? - A case study with human matriptase.

RSC Med Chem 14: 969-982 (2023)

Johannes Gutenberg-University Staudingerweg

2D 3D TSV

Investigating the interactions of flavonoids with human OATP2B1: inhibition assay, IC

RSC Med Chem 14: 890-898 (2023)

Soochow University

2D 3D TSV

Synthesis and structure-activity relationship (SAR) studies of 1,2,3-triazole, amide, and ester-based benzothiazole derivatives as potential molecular probes for tau protein.

RSC Med Chem 14: 858-868 (2023)

University of Wollongong

2D 3D TSV

Oxazolidinones as versatile scaffolds in medicinal chemistry.

RSC Med Chem 14: 823-847 (2023)

University College London

2D 3D TSV

Design, synthesis and biological evaluation of novel indole-3-carboxylic acid derivatives with antihypertensive activity.

Bioorg Med Chem Lett 90: (2023)

Lomonosov Moscow State University

2D 3D TSV

Design, synthesis, and pharmacological evaluation of N-(3-carbamoyl-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide derivatives as interleukin-1 receptor-associated kinase 4 inhibitors with reduced potential for cytochrome P450 1A2 induction.

Bioorg Med Chem 87: (2023)

Astellas Pharma

2D 3D TSV

Novel AHR Agonists for Treating Psoriasis.

ACS Med Chem Lett 14: 543-544 (2023)

Smith, Gambrell & Russell

2D 3D TSV

Rational Design of Highly Potent and Selective Covalent MAP2K7 Inhibitors.

ACS Med Chem Lett 14: 606-613 (2023)

Northwestern University

2D 3D TSV

Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.

ACS Med Chem Lett 14: 591-598 (2023)

Tu Dortmund University

2D 3D TSV

Monoacylglycerol Lipase Modulators for Treating Autism Spectrum Disorders.

ACS Med Chem Lett 14: 545-546 (2023)

Smith, Gambrell & Russell

2D 3D TSV

1,2,4-Triazine Derivatives as NLRP3 Inhibitors for Treating Diseases.

ACS Med Chem Lett 14: 547-548 (2023)

Smith, Gambrell & Russell

2D 3D TSV

Novel Serine-Arginine Protein Kinase Inhibitors for Treating Cancer.

ACS Med Chem Lett 14: 551-552 (2023)

Smith, Gambrell & Russell

2D 3D TSV

PROTAC: Harnessing Targeted Chimeras for Selective BCL-2 Degradation in Cancer Treatment.

ACS Med Chem Lett 14: 541-542 (2023)

Usona Institute

2D 3D TSV

Synthesis of Veliparib Prodrugs and Determination of Drug-Release-Dependent PARP-1 Inhibition.

ACS Med Chem Lett 14: 652-657 (2023)

University of Pittsburgh

2D 3D TSV

Cytosolic Enzymes Generate Cannabinoid Metabolites 7-Carboxycannabidiol and 11-Nor-9-carboxytetrahydrocannabinol.

ACS Med Chem Lett 14: 614-620 (2023)

University of North Carolina at Chapel Hill

2D 3D TSV

Inhibition of Thiamine Diphosphate-Dependent Enzymes by Triazole-Based Thiamine Analogues.

ACS Med Chem Lett 14: 621-628 (2023)

University of Cambridge

2D 3D TSV

Selective Wee1 Inhibitors Led to Antitumor Activity

ACS Med Chem Lett 14: 566-576 (2023)

Emd Serono

2D 3D TSV

Novel Thienopyrrole Compounds for Treating Autoimmune Diseases and Inflammatory Conditions.

ACS Med Chem Lett 14: 549-550 (2023)

Smith, Gambrell & Russell

2D 3D TSV

Discovery of a Novel Series of Potent SHP2 Allosteric Inhibitors.

ACS Med Chem Lett 14: 645-651 (2023)

IRBM

2D 3D TSV

Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.

ACS Med Chem Lett 14: 658-665 (2023)

Japan Tobacco

2D 3D TSV

Design, synthesis, and anticancer evaluation of arylurea derivatives as potent and selective type II irreversible covalent FGFR4 inhibitors.

Bioorg Med Chem 87: (2023)

China Pharmaceutical University

2D 3D TSV

Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.

Bioorg Med Chem Lett 90: (2023)

Infex Therapeutics

2D 3D TSV

Design, synthesis and biological evaluation of covalent peptidomimetic 3CL protease inhibitors containing nitrile moiety.

Bioorg Med Chem 87: (2023)

An Hui University of Traditional Chinese Medicine

2D 3D TSV

Identification of (-)-Epigallocateshin gallate derivatives promoting innate immune activation via 2',3'-cyclic GMP-AMP-stimulator of interferon genes pathway.

Bioorg Med Chem Lett 90: (2023)

Korea Institute of Science and Technology

2D 3D TSV

The lipidation and glycosylation enabling bioactivity enhancement and structural change of antibacterial peptide G3.

Bioorg Med Chem Lett 90: (2023)

Fujian Normal University

2D 3D TSV

Discovery of pyrido[4,3-d]pyrimidinone derivatives as novel Wee1 inhibitors.

Bioorg Med Chem 87: (2023)

Zhejiang University

2D 3D TSV

Design, synthesis and biological evaluation of novel indole-piperazine derivatives as antibacterial agents.

Bioorg Med Chem Lett 89: (2023)

Northwest A&F University

2D 3D TSV

Development of a fluorescence screening assay for binding partners of the iron-sulfur mitochondrial protein mitoNEET.

Bioorg Med Chem Lett 89: (2023)

West Virginia University

2D 3D TSV

Design, synthesis, and biological evaluation of acyl sulfonamide derivatives with spiro cycles as Na

Bioorg Med Chem 86: (2023)

Fudan University

2D 3D TSV

Synthesis of novel ciprofloxacin-avibactam conjugates for the development of second-generation non-β-lactam-β-lactamase inhibitors.

Bioorg Med Chem Lett 88: (2023)

CSIR-Institute of Himalayan Bioresource Technology

2D 3D TSV

Discovery of imidazo[1,2-b]pyridazine macrocyclic derivatives as novel ALK inhibitors capable of combating multiple resistant mutants.

Bioorg Med Chem Lett 89: (2023)

Shanghai Institute of Pharmaceutical Industry Co.

2D 3D TSV

Discovery of 4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carboxamide derivatives as PI3Kα inhibitors via virtual screening and docking-based structure optimization.

Bioorg Med Chem 86: (2023)

Zhejiang University

2D 3D TSV

Discovery of new 5-substituted-indole-2-carboxamides as dual epidermal growth factor receptor (EGFR)/cyclin dependent kinase-2 (CDK2) inhibitors with potent antiproliferative action.

RSC Med Chem 14: 734-744 (2023)

Jouf University Al-Qurayyat

2D 3D TSV

Development of thiazole-appended novel hydrazones as a new class of α-amylase inhibitors with anticancer assets: an

RSC Med Chem 14: 757-781 (2023)

Ccs Haryana Agricultural University

2D 3D TSV

Ribosome-targeting antibiotics and resistance

RSC Med Chem 14: 624-643 (2023)

Emory University

2D 3D TSV

Computational design of a cyclic peptide that inhibits the CTLA4 immune checkpoint.

RSC Med Chem 14: 658-670 (2023)

Kansas State University

2D 3D TSV

Semisynthetic blasticidin S ester derivatives show enhanced antibiotic activity.

RSC Med Chem 14: 782-789 (2023)

Virginia Tech

2D 3D TSV

Phthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors.

Bioorg Med Chem Lett 88: (2023)

Bristol Myers Squibb

2D 3D TSV

Optimization of 3-aminotetrahydrothiophene 1,1-dioxides with improved potency and efficacy as non-electrophilic antioxidant response element (ARE) activators.

Bioorg Med Chem Lett 89: (2023)

Pusan National University

2D 3D TSV

Design, synthesis, and biological evaluation of novel HDAC inhibitors with a 3-(benzazol-2-yl)quinoxaline framework.

Bioorg Med Chem Lett 88: (2023)

Southeast University

2D 3D TSV

Identification of a novel spirocyclic Nek2 inhibitor using high throughput virtual screening.

Bioorg Med Chem Lett 88: (2023)

Queens College of the City University of New York

2D 3D TSV

Identification of small molecule inhibitors against MMP-14 via High-Throughput screening.

Bioorg Med Chem 85: (2023)

University of Illinois at Chicago

2D 3D TSV

Enzymatic transformation of esculetin as a potent class of α-glucosidase inhibitors.

Bioorg Med Chem Lett 88: (2023)

Korea Atomic Energy Research Institute (KAERI)

2D 3D TSV

Synthesis and evaluation of sulfonamide derivatives targeting EGFR

Bioorg Med Chem 85: (2023)

Shenyang Pharmaceutical University

2D 3D TSV

Design, synthesis and bioactivity evaluations of 8-substituted-quinoline-2-carboxamide derivatives as novel histone deacetylase (HDAC) inhibitors.

Bioorg Med Chem 85: (2023)

Shandong University

2D 3D TSV

Targeting the "Undruggable" Driver Protein, KRAS

ACS Med Chem Lett 14: 365-366 (2023)

Usona Institute

2D 3D TSV

Discovery and Optimization of a Novel Macrocyclic Amidinourea Series Active as Acidic Mammalian Chitinase Inhibitors.

ACS Med Chem Lett 14: 417-424 (2023)

University of Siena

2D 3D TSV

Discovery of

ACS Med Chem Lett 14: 442-449 (2023)

Cerevance

2D 3D TSV

The Identification of GPR52 Agonist HTL0041178, a Potential Therapy for Schizophrenia and Related Psychiatric Disorders.

ACS Med Chem Lett 14: 499-505 (2023)

Sosei Heptares

2D 3D TSV

Development and Characterization of Fluorescent Probes for the G Protein-Coupled Receptor 35.

ACS Med Chem Lett 14: 411-416 (2023)

Dalian Institute of Chemical Physics

2D 3D TSV

Rimonabant-Based Compounds Bearing Hydrophobic Amino Acid Derivatives as Cannabinoid Receptor Subtype 1 Ligands.

ACS Med Chem Lett 14: 479-486 (2023)

Hun Biological Research Centre, Szeged

2D 3D TSV

Prenylated Chrysin Derivatives as Partial PPARγ Agonists with Adiponectin Secretion-Inducing Activity.

ACS Med Chem Lett 14: 425-431 (2023)

Seoul National University

2D 3D TSV

Discovery of Futibatinib: The First Covalent FGFR Kinase Inhibitor in Clinical Use.

ACS Med Chem Lett 14: 396-404 (2023)

Taiho Pharmaceutical

2D 3D TSV

Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.

ACS Med Chem Lett 14: 432-441 (2023)

University of North Carolina At Chapel Hill

2D 3D TSV

Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry.

ACS Med Chem Lett 14: 458-465 (2023)

University of Gdansk

2D 3D TSV

Accelerating Drug Discovery: Synthesis of Complex Chemotypes via Multicomponent Reactions.

ACS Med Chem Lett 14: 376-385 (2023)

Atavistik Bio

2D 3D TSV

Discovery of Potent Deuterated Compounds as Potential KRAS

ACS Med Chem Lett 14: 362-364 (2023)

Usona Institute

2D 3D TSV

Anagrelide: A Clinically Effective cAMP Phosphodiesterase 3A Inhibitor with Molecular Glue Properties.

ACS Med Chem Lett 14: 350-361 (2023)

The Baruch S. Blumberg Institute

2D 3D TSV

Synthesis and biological evaluation of novel pteridin-7(8H)-one derivatives as potent CDK2 inhibitors.

Bioorg Med Chem Lett 88: (2023)

Jiangnan University

2D 3D TSV

Synthesis and analysis of novel catecholic ligands as inhibitors of catechol-O-methyltransferase.

Bioorg Med Chem Lett 88: (2023)

University of California at San Francisco

2D 3D TSV

3-Arylidene-2-oxindoles as GSK3β inhibitors and anti-thrombotic agents.

Bioorg Med Chem Lett 87: (2023)

Volgograd State Medical University

2D 3D TSV

Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1.

Bioorg Med Chem Lett 88: (2023)

Bristol Myers Squibb

2D 3D TSV

Hydrazinecarbonyl-thiazol-2-acetamides with pronounced apoptotic behavior: synthesis, in vitro/in vivo anti-proliferative activity and molecular modeling simulations.

Bioorg Med Chem Lett 87: (2023)

Mansoura University

2D 3D TSV

Inhibition of the hERG potassium ion channel by different non-nucleoside human cytomegalovirus polymerase antiviral inhibitor series and the exploration of variations on a pyrroloquinoline core to reduce cardiotoxicity potential.

Bioorg Med Chem 85: (2023)

University of Alberta

2D 3D TSV

Siderophores: Chemical tools for precise antibiotic delivery.

Bioorg Med Chem Lett 87: (2023)

Universidade De Santiago De Compostela

2D 3D TSV

Identification of a Noxo1 inhibitor by addition of a polyethylene glycol chain.

Bioorg Med Chem 85: (2023)

University of Cincinnati

2D 3D TSV

Bacterial GTPases as druggable targets to tackle antimicrobial resistance.

Bioorg Med Chem Lett 87: (2023)

Indian Institute of Science Education and Research Bhopal

2D 3D TSV

Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities.

Bioorg Med Chem 85: (2023)

Bristol Myers Squibb

2D 3D TSV

Discovery of FXR/PPARγ dual partial agonist.

Bioorg Med Chem 85: (2023)

Hiroshima International University

2D 3D TSV

An ATG4B inhibitor blocks autophagy and sensitizes Sorafenib inhibition activities in HCC tumor cells.

Bioorg Med Chem 84: (2023)

Yantai University

2D 3D TSV

Design, synthesis and biological evaluation of quinazoline SOS1 inhibitors.

Bioorg Med Chem Lett 88: (2023)

Jiangnan University

2D 3D TSV

Design, synthesis and bioactivity evaluation of a series of quinazolinone derivatives as potent PI3Kγ antagonist.

Bioorg Med Chem 84: (2023)

Southern Medical University

2D 3D TSV

Palbociclib and Michael-acceptor hybrid compounds as CDK4/6 covalent inhibitors: Improved potency, broad anticancer spectrum and overcoming drug resistance.

Bioorg Med Chem 84: (2023)

Southeast University

2D 3D TSV

Development of [

Bioorg Med Chem Lett 88: (2023)

Chongqing Medical University

2D 3D TSV

Novel thienocycloalkylpyridazinones as useful scaffolds for acetylcholinesterase inhibition and serotonin 5-HT

Bioorg Med Chem 84: (2023)

University of Sassari

2D 3D TSV

Discovery of SYD5115, a novel orally active small molecule TSH-R antagonist.

Bioorg Med Chem 84: (2023)

Byondis

2D 3D TSV

Total Synthesis and Biological Evaluation of the Anti-Inflammatory (13

J Nat Prod 86: 924-938 (2023)

Johannes Gutenberg-University

2D 3D TSV