3D-QSAR and molecular modeling of HIV-1 integrase inhibitors

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 3, 2002, Pages 181-200

  Makhija, Mahindra T ^a   Kulkarni, Vithal M ^a  

^a UNIVERSITY OF MUMBAI   (India)

Author keywords

Comparative molecular field analysis; Comparative molecular similarity indices analysis; Docking; HIV 1 integrase; Partial least squares

Indexed keywords

COMPUTATIONAL CHEMISTRY; ELECTROSTATICS; LEAST SQUARES APPROXIMATIONS;

3D-QSAR; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; DOCKING; HIV-1 INTEGRASE; IN-VITRO; PARTIAL LEAST-SQUARES; PREDICTIVE ABILITIES; TEST SETS; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

CRYSTAL STRUCTURE;

AMINO ACID; COUMARIN DERIVATIVE; INTEGRASE; INTEGRASE INHIBITOR; THIAZEPINE DERIVATIVE;

ANALYTIC METHOD; ANTIVIRAL ACTIVITY; ARTICLE; BINDING SITE; CHEMICAL BINDING; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION ANALYSIS; DRUG STRUCTURE; ELECTRIC FIELD; HUMAN IMMUNODEFICIENCY VIRUS 1; IN VITRO STUDY; INTERMETHOD COMPARISON; METHODOLOGY; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

EID: 0036520841     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020137802155     Document Type: Article

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