Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors

Yating Mao; Yan Li; Ming Hao; Shuwei Zhang; Chunzhi Ai

doi:10.1007/s00894-011-1236-8

Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors

Journal of Molecular Modeling ◽

10.1007/s00894-011-1236-8 ◽

2011 ◽

Vol 18 (5) ◽

pp. 2185-2198 ◽

Cited By ~ 23

Author(s):

Yating Mao ◽

Yan Li ◽

Ming Hao ◽

Shuwei Zhang ◽

Chunzhi Ai

Keyword(s):

Molecular Dynamics ◽

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Hiv 1

Quantitative Structure-Activity Relationship Study of 2-arylsulfonyl-6-substituted Benzonitriles as Non-nucleoside Reverse Transcriptase Inhibitors of HIV-1

Journal of Enzyme Inhibition and Medicinal Chemistry ◽

10.1080/1475636021000010932 ◽

2002 ◽

Vol 17 (4) ◽

pp. 219-225 ◽

Cited By ~ 2

Author(s):

B.K. Sharma ◽

Rajendra Kumar ◽

P. Singh

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Nucleoside Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Relationship Study ◽

Hiv 1

Quantitative Structure-Activity Relationship Studies on Some Viral Reverse Transcriptase Inhibitors Acting as Anti-Hiv-1 Agents

Journal of Enzyme Inhibition ◽

10.3109/14756369709027648 ◽

1997 ◽

Vol 11 (3) ◽

pp. 171-181 ◽

Cited By ~ 5

Author(s):

Rajni Garg ◽

S. P. Gupta

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Anti Hiv ◽

Hiv 1

Molecular docking and quantitative structure–activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors

Medicinal Chemistry Research ◽

10.1007/s00044-013-0647-8 ◽

2013 ◽

Vol 23 (1) ◽

pp. 417-425 ◽

Cited By ~ 5

Author(s):

Vijay H. Masand ◽

Devidas T. Mahajan ◽

Taibi Ben Hadda ◽

Rahul D. Jawarkar ◽

Hemant Chavan ◽

...

Keyword(s):

Molecular Docking ◽

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Nucleoside Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Hiv 1

Quantitative Structure-Activity Relationship Studies on 2-Amino-6-arylsulfonylbenzonitriles as Human Immunodeficiency Viruses Type 1 Reverse Transcriptase Inhibitors Using Descriptors Obtained from Substituents and Whole Molecular Structures

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2009.00871.x ◽

2009 ◽

Vol 74 (4) ◽

pp. 405-415 ◽

Cited By ~ 4

Author(s):

Bahram Hemmateenejad ◽

Razieh Sabet ◽

Afshin Fassihi

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Molecular Structures ◽

Activity Relationship ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Human Immunodeficiency Viruses

Linear and nonlinear quantitative structure–activity relationship modeling of the HIV-1 reverse transcriptase inhibiting activities of thiocarbamates

Analytica Chimica Acta ◽

10.1016/j.aca.2011.04.046 ◽

2011 ◽

Vol 705 (1-2) ◽

pp. 166-173 ◽

Cited By ~ 12

Author(s):

Mohammad Goodarzi ◽

Matheus P. Freitas ◽

Yvan Vander Heyden

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Linear And Nonlinear ◽

Hiv 1

Quantitative Structure-Activity Relationship Studies on Anti-Hiv-1 Tibo Derivatives as Inhibitors of Viral Reverse Transcriptase

Journal of Enzyme Inhibition ◽

10.3109/14756369609038219 ◽

1996 ◽

Vol 11 (1) ◽

pp. 23-32 ◽

Cited By ~ 10

Author(s):

S. P. Gupta ◽

Rajni Garg

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Anti Hiv ◽

Hiv 1

Docking and Quantitative Structure-Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2008.00716.x ◽

2008 ◽

Vol 72 (5) ◽

pp. 360-369 ◽

Cited By ~ 22

Author(s):

Carlos F. Lagos ◽

Julio Caballero ◽

Fernando D. Gonzalez-Nilo ◽

Carlos David Pessoa-Mahana ◽

Tomas Perez-Acle

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Nucleoside Inhibitors ◽

Hiv 1

Quantitative structure-activity relationship of anti-HIV integrase and reverse transcriptase inhibitors using norm indexes

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2017.1397055 ◽

2017 ◽

Vol 28 (12) ◽

pp. 1025-1044 ◽

Cited By ~ 6

Author(s):

Y. Wang ◽

F. Yan ◽

Q. Jia ◽

Y. Dai ◽

Q. Wang

Keyword(s):

Reverse Transcriptase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Hiv Integrase ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Relationship Of ◽

Anti Hiv

Urea−PETT Compounds as a New Class of HIV-1 Reverse Transcriptase Inhibitors. 3. Synthesis and Further Structure−Activity Relationship Studies of PETT Analogues

Journal of Medicinal Chemistry ◽

10.1021/jm990095j ◽

1999 ◽

Vol 42 (20) ◽

pp. 4150-4160 ◽

Cited By ~ 47

Author(s):

Marita Högberg ◽

Christer Sahlberg ◽

Per Engelhardt ◽

Rolf Noréen ◽

Jussi Kangasmetsä ◽

...

Keyword(s):

Reverse Transcriptase ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Reverse Transcriptase Inhibitors ◽

New Class ◽

Structure Activity ◽

Hiv 1

Quantitative Structure-Activity Relationship of some HIV-1 Protease Inhibitors: A Fujita-Ban Type Analysis

Journal of Enzyme Inhibition ◽

10.1080/14756360109162368 ◽

2001 ◽

Vol 16 (3) ◽

pp. 185-197 ◽

Cited By ~ 1

Author(s):

S. B. Mekapati ◽

R. Sivakumar ◽

S. P. Gupta

Keyword(s):

Protease Inhibitors ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Type Analysis ◽

Structure Activity ◽

Relationship Of ◽

Hiv 1