Molecular modeling studies of HIV-1 reverse transcriptase nonnucleoside inhibitors: Total energy of complexation as a predictor of drug placement and activity

Marilyn B. Kroeger Smith; Stephen H. Hughes; Paul L. Boyer; Christopher J. Michejda; Carol A. Rouzer; Lisa A. Taneyhill; Richard H. Smith; Nathan A. Smith; Paul A.J. Janssen; Henri Moereels; Luc Koymans; Edward Arnold; Jianping Ding; Kalyan Das; Wanyi Zhang

doi:10.1002/pro.5560041026

Molecular modeling studies of HIV-1 reverse transcriptase nonnucleoside inhibitors: Total energy of complexation as a predictor of drug placement and activity

Protein Science ◽

10.1002/pro.5560041026 ◽

1995 ◽

Vol 4 (10) ◽

pp. 2203-2222 ◽

Cited By ~ 47

Author(s):

Marilyn B. Kroeger Smith ◽

Stephen H. Hughes ◽

Paul L. Boyer ◽

Christopher J. Michejda ◽

Carol A. Rouzer ◽

...

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Total Energy ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Nonnucleoside Inhibitors ◽

Hiv 1

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Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: Synthesis, biological investigation and molecular modeling studies

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2013.08.040 ◽

2013 ◽

Vol 21 (21) ◽

pp. 6477-6483 ◽

Cited By ~ 4

Author(s):

Hai-Qiu Wu ◽

Zi-Hong Yan ◽

Wen-Xue Chen ◽

Qiu-Qin He ◽

Fen-Er Chen ◽

...

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Reverse Transcriptase Inhibitors ◽

Biological Investigation ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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Research on anti-HIV-1 agents. Part 2: Solid-phase synthesis, biological evaluation and molecular modeling studies of 2,5,6-trisubstituted-4(3H)-pyrimidinones targeting HIV-1 reverse transcriptase

Tetrahedron ◽

10.1016/s0040-4020(01)00815-8 ◽

2001 ◽

Vol 57 (39) ◽

pp. 8357-8367 ◽

Cited By ~ 26

Author(s):

Maurizio Botta ◽

Federico Corelli ◽

Giovanni Maga ◽

Fabrizio Manetti ◽

Michela Renzulli ◽

...

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Solid Phase Synthesis ◽

Solid Phase ◽

Biological Evaluation ◽

Phase Synthesis ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Anti Hiv ◽

Hiv 1

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Design, Synthesis, Biological Evaluation, and Molecular Modeling Studies of TIBO-Like Cyclic Sulfones as Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors

ChemMedChem ◽

10.1002/cmdc.200500020 ◽

2006 ◽

Vol 1 (1) ◽

pp. 82-95 ◽

Cited By ~ 14

Author(s):

Roberto Di Santo ◽

Roberta Costi ◽

Marino Artico ◽

Rino Ragno ◽

Antonio Lavecchia ◽

...

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Biological Evaluation ◽

Reverse Transcriptase Inhibitors ◽

Design Synthesis ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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Design, Synthesis, SAR, and Molecular Modeling Studies of Acylthiocarbamates: A Novel Series of Potent Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Structurally Related to Phenethylthiazolylthiourea Derivatives

Journal of Medicinal Chemistry ◽

10.1021/jm0209984 ◽

2003 ◽

Vol 46 (5) ◽

pp. 768-781 ◽

Cited By ~ 23

Author(s):

Angelo Ranise ◽

Andrea Spallarossa ◽

Silvia Schenone ◽

Olga Bruno ◽

Francesco Bondavalli ◽

...

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Reverse Transcriptase Inhibitors ◽

Design Synthesis ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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Research Article: Synthesis, Biological Evaluation and Molecular Modeling Studies of N-aryl-2-arylthioacetamides as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2010.01017.x ◽

2010 ◽

Vol 76 (4) ◽

pp. 330-339 ◽

Cited By ~ 7

Author(s):

Zhu Xiaohe ◽

Qin Yu ◽

Yan Hong ◽

Song Xiuqing ◽

Zhong Rugang

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Biological Evaluation ◽

Reverse Transcriptase Inhibitors ◽

Research Article ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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Molecular Modeling Studies on Pyridinone Derivatives as Non Nucleosides Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1

10.26226/morressier.614222345a6b32ccbe1480e6 ◽

2021 ◽

Author(s):

DR. URMILA RAGHUVANSHI

Keyword(s):

Molecular Modeling ◽

Reverse Transcriptase ◽

Reverse Transcriptase Inhibitors ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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Structural findings of quinolone carboxylic acids in cytotoxic, antiviral, and anti-HIV-1 integrase activity through validated comparative molecular modeling studies

Medicinal Chemistry Research ◽

10.1007/s00044-013-0897-5 ◽

2013 ◽

Vol 23 (6) ◽

pp. 3096-3127 ◽

Cited By ~ 14

Author(s):

Nilanjan Adhikari ◽

Amit Kumar Halder ◽

Chanchal Mondal ◽

Tarun Jha

Keyword(s):

Molecular Modeling ◽

Carboxylic Acids ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Anti Hiv ◽

Hiv 1

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Molecular modeling studies of N-substituted pyrrole derivatives—Potential HIV-1 gp41 inhibitors

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2007.12.034 ◽

2008 ◽

Vol 16 (6) ◽

pp. 3039-3048 ◽

Cited By ~ 49

Author(s):

Cátia Teixeira ◽

Florent Barbault ◽

Joseph Rebehmed ◽

Kun Liu ◽

Lan Xie ◽

...

Keyword(s):

Molecular Modeling ◽

Pyrrole Derivatives ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1

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SAR and molecular modeling studies for the anit-HIV-1 activity optimization of pirryl-aryl-sulphones (PASs). Identification of derivatives with improved potency

Antiviral Research ◽

10.1016/s0166-3542(97)83183-x ◽

1997 ◽

Vol 34 (2) ◽

pp. A55

Keyword(s):

Molecular Modeling ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Hiv 1 ◽

Activity Optimization

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Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: New structural insight into the HIV-1 integrase inhibition

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2011.02.028 ◽

2011 ◽

Vol 46 (5) ◽

pp. 1749-1756 ◽

Cited By ~ 17

Author(s):

Pierre Vandurm ◽

Allan Guiguen ◽

Christine Cauvin ◽

Benoît Georges ◽

Kiet Le Van ◽

...

Keyword(s):

Molecular Modeling ◽

Biological Evaluation ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Structural Insight ◽

Insight Into ◽

Hiv 1

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