Journal of Medicinal Chemistry

Title Publication Date Language Citations
Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring2006/07/19English501
A Mathematical Contribution to Structure-Activity Studies1964/07/01English500
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations2000/11/22English497
4-[5-Methyl-3-phenylisoxazol-4-yl]- benzenesulfonamide, Valdecoxib:  A Potent and Selective Inhibitor of COX-22000/02/23English497
Structure−Brain Exposure Relationships2006/12/01English495
Synthesis and Antibacterial Evaluation of Certain Quinolone Derivatives2001/06/08English493
Potent Derivatives of Glucagon-like Peptide-1 with Pharmacokinetic Properties Suitable for Once Daily Administration2000/04/18English492
Synthesis and Antimalarial Activity in Vitro and in Vivo of a New Ferrocene−Chloroquine Analogue1997/11/01English491
The Structure−Activity Relationship between Peroxisome Proliferator-Activated Receptor γ Agonism and the Antihyperglycemic Activity of Thiazolidinediones1996/01/01English490
Halogen Bonding—A Novel Interaction for Rational Drug Design?2009/04/09English489
Discovery of Raltegravir, a Potent, Selective Orally Bioavailable HIV-Integrase Inhibitor for the Treatment of HIV-AIDS Infection2008/09/03English489
1-[[(3-Hydroxy-1-adamantyl)amino]acetyl]-2-cyano-(S)-pyrrolidine:  A Potent, Selective, and Orally Bioavailable Dipeptidyl Peptidase IV Inhibitor with Antihyperglycemic Properties2003/05/24English482
Physicochemical Properties of Antibacterial Compounds: Implications for Drug Discovery2008/02/09English480
Adenosine receptors: targets for future drugs1982/03/01English479
The PDBbind Database:  Methodologies and Updates2005/05/24English478
Discovery and Preclinical Profile of Saxagliptin (BMS-477118):  A Highly Potent, Long-Acting, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes2005/06/24English475
Chance factors in studies of quantitative structure-activity relationships1979/10/01English475
Organic Carbamates in Drug Design and Medicinal Chemistry2015/01/07English467
Discovery of a β-d-2′-Deoxy-2′-α-fluoro-2′-β-C-methyluridine Nucleotide Prodrug (PSI-7977) for the Treatment of Hepatitis C Virus2010/09/16English465
Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK)2012/08/08English461
Do Structurally Similar Molecules Have Similar Biological Activity?2002/08/13English459
1,8-Naphthyridine Derivatives. A New Class of Chemotherapeutic Agents1962/09/01English457
Calcium Entry Blockers and Activators: Conformational and Structural Determinants of Dihydropyrimidine Calcium Channel Modulators1995/01/01English456
Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 42005/03/08English452
New Chemical Descriptors Relevant for the Design of Biologically Active Peptides. A Multivariate Characterization of 87 Amino Acids1998/06/04English452
Viracept (Nelfinavir Mesylate, AG1343):  A Potent, Orally Bioavailable Inhibitor of HIV-1 Protease1997/11/01English452
Prediction of Protein−Ligand Interactions. Docking and Scoring:  Successes and Gaps2006/09/28English452
Discovery of Dapagliflozin: A Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor for the Treatment of Type 2 Diabetes2008/02/09English451
Natural Products as Leads to Potential Drugs: An Old Process or the New Hope for Drug Discovery?2008/04/05English448
Synthesis and Antibacterial Activity of U-100592 and U-100766, Two Oxazolidinone Antibacterial Agents for the Potential Treatment of Multidrug-Resistant Gram-Positive Bacterial Infections1996/01/01English447