Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors

Journal of Molecular Modeling

Volumn 16, Issue 7, 2010, Pages 1251-1268

  Khedkar, Vijay M ^a   Ambre, Premlata K ^a   Verma, Jitender ^a   Shaikh, Mushtaque S ^a   Pissurlenkar, Raghuvir R S ^a   Coutinho, Evans C ^a  

^a BOMBAY COLLEGE OF PHARMACY   (India)

Author keywords

ADMET; Atom fit alignment; CoMFA; CoMSIA; Docking; HIV 1PR inhibitors; Receptor based alignment

Indexed keywords

4,7 DIBENZYL 2,3,4,5,6,7 HEXAHYDRO 5,6 DIHYDROXY 1,3 BIS[4 (HYDROXYMETHYL)BENZYL] 2H 1,3 DIAZEPIN 2 ONE;

ARTICLE; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

ANTI-HIV AGENTS; BINDING SITES; COMPUTATIONAL BIOLOGY; DRUG DESIGN; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; HYDROGEN BONDING; HYDROPHOBICITY; KINETICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; STATIC ELECTRICITY;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 77955094714     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0636-5     Document Type: Article

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