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 ◽

Author(s):

Cátia Teixeira ◽

Florent Barbault ◽

Joseph Rebehmed ◽

Kun Liu ◽

Lan Xie ◽

...

Keyword(s):

Molecular Modeling ◽

Pyrrole Derivatives ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

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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 ◽

Author(s):

Nilanjan Adhikari ◽

Amit Kumar Halder ◽

Chanchal Mondal ◽

Tarun Jha

Keyword(s):

Molecular Modeling ◽

Carboxylic Acids ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Anti Hiv ◽

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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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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 ◽

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 ◽

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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 ◽

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 ◽

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Synthesis, biological evaluation, and molecular modeling studies of new 1,3,4-oxadiazole- and 1,3,4-thiadiazole-substituted 4-oxo-4H-pyrido[1,2-a]pyrimidines as anti-HIV-1 agents

Medicinal Chemistry Research ◽

10.1007/s00044-012-0241-5 ◽

2012 ◽

Vol 22 (5) ◽

pp. 2467-2475 ◽

Author(s):

Z. Hajimahdi ◽

A. Zarghi ◽

R. Zabihollahi ◽

M. R. Aghasadeghi

Keyword(s):

Molecular Modeling ◽

Biological Evaluation ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Anti Hiv ◽

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Some Hydrazones of 2-Aroylamino-3-methylbutanohydrazide: Synthesis, Molecular Modeling Studies, and Identification as Stereoselective Inhibitors of HIV-1

Archiv der Pharmazie ◽

10.1002/ardp.201200311 ◽

2012 ◽

Vol 346 (2) ◽

pp. 140-153 ◽

Author(s):

Esra Tatar ◽

İlkay Küçükgüzel ◽

Dirk Daelemans ◽

Tanaji T. Talele ◽

Neerja Kaushik-Basu ◽

...

Keyword(s):

Molecular Modeling ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

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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 ◽

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 ◽

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Molecular modeling studies suggest that zinc ions inhibit HIV-1 protease by binding at catalytic aspartates.

Environmental Health Perspectives ◽

10.1289/ehp.93101246 ◽

1993 ◽

Vol 101 (3) ◽

pp. 246-250 ◽

Author(s):

D M York ◽

T A Darden ◽

L G Pedersen ◽

M W Anderson

Keyword(s):

Molecular Modeling ◽

Zinc Ions ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

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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 ◽

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 ◽

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QSAR, DFT and molecular modeling studies of peptides from HIV-1 to describe their recognition properties by MHC-I

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2017.1352538 ◽

2017 ◽

Vol 36 (9) ◽

pp. 2312-2330 ◽

Author(s):

S. Andrade-Ochoa ◽

J. García-Machorro ◽

Martiniano Bello ◽

L.M. Rodríguez-Valdez ◽

C.A. Flores-Sandoval ◽

...

Keyword(s):

Molecular Modeling ◽

Mhc I ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

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