Three-Dimensional Quantitative Structure-Activity Relationship (QSAR) of HIV Integrase Inhibitors: A Comparative Molecular Field Analysis (CoMFA) Study

K. Raghavan; John K. Buolamwini; Mark R. Fesen; Yves Pommier; Kurt W. Kohn; John N. Weinstein

doi:10.1021/jm00006a006

Three-Dimensional Quantitative Structure-Activity Relationship (QSAR) of HIV Integrase Inhibitors: A Comparative Molecular Field Analysis (CoMFA) Study

Journal of Medicinal Chemistry ◽

10.1021/jm00006a006 ◽

1995 ◽

Vol 38 (6) ◽

pp. 890-897 ◽

Cited By ~ 60

Author(s):

K. Raghavan ◽

John K. Buolamwini ◽

Mark R. Fesen ◽

Yves Pommier ◽

Kurt W. Kohn ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Hiv Integrase ◽

Quantitative Structure ◽

Integrase Inhibitors ◽

Structure Activity ◽

Hiv Integrase Inhibitors ◽

Comfa Study

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Three-Dimensional Quantitative Structure–Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Journal of Pharmaceutical Sciences ◽

10.1002/jps.24235 ◽

2015 ◽

Vol 104 (1) ◽

pp. 223-232 ◽

Cited By ~ 7

Author(s):

Koichi Handa ◽

Izumi Nakagome ◽

Noriyuki Yamaotsu ◽

Hiroaki Gouda ◽

Shuichi Hirono

Keyword(s):

Three Dimensional ◽

Pregnane X Receptor ◽

Quantitative Structure Activity Relationship ◽

Human Hepatocytes ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cyp3a4 Induction

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Three-Dimensional Quantitative Structure−Activity Relationship Study on Cyclic Urea Derivatives as HIV-1 Protease Inhibitors: Application of Comparative Molecular Field Analysis†

Journal of Medicinal Chemistry ◽

10.1021/jm980369n ◽

1999 ◽

Vol 42 (2) ◽

pp. 249-259 ◽

Cited By ~ 53

Author(s):

Asim Kumar Debnath

Keyword(s):

Protease Inhibitors ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Urea Derivatives ◽

Structure Activity ◽

Relationship Study ◽

Hiv 1

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A Three-Dimensional Quantitative Structure−Activity Relationship Study of Heparin-Binding Epidermal Growth Factor Shedding Inhibitors Using Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm0110385 ◽

2002 ◽

Vol 45 (4) ◽

pp. 781-788 ◽

Cited By ~ 7

Author(s):

Roberta Bursi ◽

Masaaki Sawa ◽

Yasuyuki Hiramatsu ◽

Hirosato Kondo

Keyword(s):

Growth Factor ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Heparin Binding ◽

Quantitative Structure ◽

Structure Activity ◽

Epidermal Growth ◽

Relationship Study

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Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model

Journal of Pharmacology and Experimental Therapeutics ◽

10.1124/jpet.110.175356 ◽

2010 ◽

Vol 336 (2) ◽

pp. 403-413 ◽

Cited By ~ 31

Author(s):

Baojian Wu ◽

John Kenneth Morrow ◽

Rashim Singh ◽

Shuxing Zhang ◽

Ming Hu

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Analysis Model ◽

Structure Activity

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Three-Dimensional Quantitative Structure-Activity Relationship of ArylalkylamineN-acetyltransferase (AANAT) Inhibitors: A Comparative Molecular Field Analysis

Quantitative Structure-Activity Relationships ◽

10.1002/1521-3838(200112)20:5/6<414::aid-qsar414>3.0.co;2-v ◽

2001 ◽

Vol 20 (5-6) ◽

pp. 414-421 ◽

Cited By ~ 2

Author(s):

Philippe Chavatte ◽

Saïd Yous ◽

Nathalie Beaurain ◽

Christophe Mésangeau ◽

Gilles Ferry ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Of

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Computational Studies on Tetrahydropyrimidine-2-one HIV-1 Protease Inhibitors: Improving Three-Dimensional Quantitative Structure−Activity Relationship Comparative Molecular Field Analysis Models by Inclusion of Calculated Inhibitor- and Receptor-Based Properties

Journal of Medicinal Chemistry ◽

10.1021/jm010417v ◽

2002 ◽

Vol 45 (4) ◽

pp. 973-983 ◽

Cited By ~ 45

Author(s):

Anil C. Nair ◽

Philippa Jayatilleke ◽

Xia Wang ◽

Stanislav Miertus ◽

William J. Welsh

Keyword(s):

Protease Inhibitors ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Computational Studies ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Analysis Models ◽

Hiv 1

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Three-Dimensional Quantitative Structure−Activity Relationship of Melatonin Receptor Ligands: A Comparative Molecular Field Analysis Study

Journal of Medicinal Chemistry ◽

10.1021/jm960680+ ◽

1997 ◽

Vol 40 (5) ◽

pp. 739-748 ◽

Cited By ~ 28

Author(s):

Sames Sicsic ◽

Isabelle Serraz ◽

Jean Andrieux ◽

Béatrice Brémont ◽

Monique Mathé-Allainmat ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Melatonin Receptor ◽

Receptor Ligands ◽

Analysis Study ◽

Structure Activity ◽

Relationship Of

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Three-Dimensional Quantitative Structure−Activity Relationship Study of the Cannabimimetic (Aminoalkyl)indoles Using Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980305c ◽

1998 ◽

Vol 41 (23) ◽

pp. 4521-4532 ◽

Cited By ~ 32

Author(s):

Joong-Youn Shim ◽

Elizabeth R. Collantes ◽

William J. Welsh ◽

Babu Subramaniam ◽

Allyn C. Howlett ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study

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Antitumor Agents. 199.†Three-Dimensional Quantitative Structure−Activity Relationship Study of the Colchicine Binding Site Ligands Using Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm990333a ◽

2000 ◽

Vol 43 (2) ◽

pp. 167-176 ◽

Cited By ~ 70

Author(s):

Shun-Xiang Zhang ◽

Jun Feng ◽

Sheng-Chu Kuo ◽

Arnold Brossi ◽

Ernest Hamel ◽

...

Keyword(s):

Binding Site ◽

Antitumor Agents ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Colchicine Binding Site ◽

Structure Activity ◽

Relationship Study

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Three-dimensional quantitative structure–activity relationship for several bioactive peptides searched by a convex hull–comparative molecular field analysis approach

Computers & Chemistry ◽

10.1016/s0097-8485(00)00113-3 ◽

2001 ◽

Vol 25 (5) ◽

pp. 489-498 ◽

Cited By ~ 4

Author(s):

Thy-Hou Lin ◽

Jia-Jiunn Lin

Keyword(s):

Convex Hull ◽

Bioactive Peptides ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Analysis Approach ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity

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