2D and 3D Quantitative Structure–Activity Relationship Study of Hepatitis C Virus NS5B Polymerase Inhibitors by Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis Methods

Eslam Pourbasheer; Reza Aalizadeh; Samira Shokouhi Tabar; Mohammad Reza Ganjali; Parviz Norouzi; Javad Shadmanesh

doi:10.1021/ci500216c

2D and 3D Quantitative Structure–Activity Relationship Study of Hepatitis C Virus NS5B Polymerase Inhibitors by Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis Methods

Journal of Chemical Information and Modeling ◽

10.1021/ci500216c ◽

2014 ◽

Vol 54 (10) ◽

pp. 2902-2914 ◽

Cited By ~ 35

Author(s):

Eslam Pourbasheer ◽

Reza Aalizadeh ◽

Samira Shokouhi Tabar ◽

Mohammad Reza Ganjali ◽

Parviz Norouzi ◽

...

Keyword(s):

Molecular Similarity ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Similarity Indices ◽

Relationship Study ◽

2D And 3D ◽

Ns5b Polymerase

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Quantitative Structure–Activity Relationship of Rubiscolin Analogues as δ Opioid Peptides Using Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA)

Journal of Agricultural and Food Chemistry ◽

10.1021/jf071031h ◽

2007 ◽

Vol 55 (20) ◽

pp. 8101-8104 ◽

Cited By ~ 25

Author(s):

Julio Caballero ◽

Mario Saavedra ◽

Michael Fernández ◽

Fernando D. González-Nilo

Keyword(s):

Opioid Peptides ◽

Molecular Similarity ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Similarity Indices ◽

Relationship Of

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Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa

Journal of Medicinal Chemistry ◽

10.1021/jm981062r ◽

1999 ◽

Vol 42 (3) ◽

pp. 458-477 ◽

Cited By ~ 327

Author(s):

Markus Böhm ◽

Jörg Stürzebecher ◽

Gerhard Klebe

Keyword(s):

Molecular Similarity ◽

Three Dimensional ◽

Factor Xa ◽

Quantitative Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Similarity Indices

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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-Property-Relationship Study of Aqueous Solubility for Phenylsulfonyl Carboxylates Using Comparative-Molecular-Field Analysis and Comparative-Molecular-Similarity-Indices Analysis

Water Environment Research ◽

10.2175/106143005x67430 ◽

2005 ◽

Vol 77 (5) ◽

pp. 519-524 ◽

Cited By ~ 2

Author(s):

Xinhui Liu ◽

Zhifeng Yang ◽

Liansheng Wang

Keyword(s):

Molecular Similarity ◽

Three Dimensional ◽

Aqueous Solubility ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationship ◽

Similarity Indices ◽

Relationship Study

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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 Study of the Inhibition of Na+,K+-ATPase by Cardiotonic Steroids Using Comparative Molecular Field Analysis†

Biochemistry ◽

10.1021/bi011511g ◽

2002 ◽

Vol 41 (4) ◽

pp. 1137-1148 ◽

Cited By ~ 23

Author(s):

Carol D. Farr ◽

Craig Burd ◽

Michael R. Tabet ◽

Xia Wang ◽

William J. Welsh ◽

...

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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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 (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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