Journal of medicinal chemistry (J Med Chem)

Journal PubWeight™ 17277.11‹?›

Top papers

Rank Title Year PubWeight™‹?›
1 Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. 2004 15.51
2 Design, synthesis, and evaluation of Phe-Gly mimetics: heterocyclic building blocks for pseudopeptides. 1999 9.39
3 Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. 2006 8.75
4 Pyrido(2,3-d)pyrimidine antibacterial agents. 3. 8-Alkyl- and 8-vinyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic acids and their derivatives. 1975 8.52
5 Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. 2004 7.96
6 Discovery of N-(2-chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a dual Src/Abl kinase inhibitor with potent antitumor activity in preclinical assays. 2004 7.33
7 Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of new Schiff bases of hydroxysemicarbazide as potential antitumor agents. 2002 7.27
8 Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. 2000 6.87
9 Molecular properties that influence the oral bioavailability of drug candidates. 2002 6.85
10 New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. 2010 6.54
11 The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. 2004 6.50
12 Varenicline: an alpha4beta2 nicotinic receptor partial agonist for smoking cessation. 2005 6.13
13 A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. 1985 6.09
14 A critical assessment of docking programs and scoring functions. 2006 5.78
15 A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. 2002 5.67
16 Benchmarking sets for molecular docking. 2006 5.57
17 The PDBbind database: methodologies and updates. 2005 5.53
18 Synthesis and evaluation of 11C-labeled 6-substituted 2-arylbenzothiazoles as amyloid imaging agents. 2003 5.34
19 The PPARs: from orphan receptors to drug discovery. 2000 5.29
20 Discovery of dapagliflozin: a potent, selective renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes. 2008 5.15
21 Escape from flatland: increasing saturation as an approach to improving clinical success. 2009 5.00
22 A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues. 2001 4.82
23 The properties of known drugs. 1. Molecular frameworks. 1996 4.75
24 Novel procedure for modeling ligand/receptor induced fit effects. 2006 4.74
25 The many roles for fluorine in medicinal chemistry. 2008 4.69
26 The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer . 2008 4.49
27 Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine. 2003 4.49
28 MolDock: a new technique for high-accuracy molecular docking. 2006 4.33
29 Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib). 1997 4.22
30 Studies on quinoline derivatives and related compounds. 5. Synthesis and antimicrobial activity of novel 1-alkoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids. 1977 4.19
31 Design, synthesis, and broad spectrum antiviral activity of 1- -D-ribofuranosyl-1,2,4-triazole-3-carboxamide and related nucleosides. 1972 4.12
32 Structure-activity relationships of antibacterial 6,7- and 7,8-disubstituted 1-alkyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acids. 1980 4.12
33 Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin. 1999 4.02
34 Antitumor activities of some Schiff bases. 1970 4.00
35 Antiprotozoal 4-aryloxy-2-aminoquinolines and related compounds. 1970 3.98
36 A specific mechanism of nonspecific inhibition. 2003 3.93
37 Prediction of protein-ligand interactions. Docking and scoring: successes and gaps. 2006 3.85
38 An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs. 2002 3.82
39 Identification of new diamine scaffolds with activity against Mycobacterium tuberculosis. 2006 3.75
40 Novel steroidal inhibitors of human cytochrome P45017 alpha (17 alpha-hydroxylase-C17,20-lyase): potential agents for the treatment of prostatic cancer. 1995 3.72
41 2003 Claude S. Hudson Award address in carbohydrate chemistry. Heparin: structure and activity. 2003 3.71
42 Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. 1994 3.60
43 Comparative in vivo stability of copper-64-labeled cross-bridged and conventional tetraazamacrocyclic complexes. 2004 3.57
44 Synthesis and antifungal activity of novel cationic pneumocandin B(o) derivatives. 1994 3.52
45 Principles and applications of halogen bonding in medicinal chemistry and chemical biology. 2013 3.48
46 Synthesis and biological evaluation of certain alpha,beta-unsaturated ketones and their corresponding fused pyridines as antiviral and cytotoxic agents. 2000 3.46
47 Adenosine receptors: targets for future drugs. 1982 3.44
48 Identification and prediction of promiscuous aggregating inhibitors among known drugs. 2003 3.44
49 Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants. 2004 3.43
50 A medicinal chemist's guide to molecular interactions. 2010 3.39
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