Docking-based 3D-QSAR study of HIV-1 integrase inhibitors

European Journal of Medicinal Chemistry

Volumn 44, Issue 11, 2009, Pages 4276-4287

  Gupta, Pawan ^a   Roy, Nilanjan ^a   Garg, Prabha ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

CoMFA; CoMSIA; Docking; HIV 1 integrase

Indexed keywords

3 AROYL 1,1 DIOXO 1,4,2 BENZODITHIAZINE DERIVATIVE; 4 CHLORO N (4 OXOPYRIMIDIN 2 YL) 2 MERCAPTOBENZENESULFONAMIDE DERIVATIVE; INTEGRASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHOBICITY; IC 50; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CATALYTIC DOMAIN; COMPUTER SIMULATION; HIV INFECTIONS; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; HUMANS; MAGNESIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTEIN BINDING; SULFONAMIDES;

EID: 70349766723     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.07.010     Document Type: Article

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