Identification of Novel HIV-1 Integrase Inhibitors Using Shape-Based Screening, QSAR, and Docking Approach

Chemical Biology and Drug Design

Volumn 79, Issue 5, 2012, Pages 835-849

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

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

Author keywords

2D QSAR; ADME; Docking; Shape based screening; Toxicity

Indexed keywords

BENZODITHIAZINE DERIVATIVE; BENZOTHIAZINE DERIVATIVE; INTEGRASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CARCINOGENICITY; CHROMOSOME DAMAGE; DRUG IDENTIFICATION; DRUG SCREENING; ENZYME ACTIVE SITE; GENE FUNCTION; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DOCKING; MUTAGENICITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANIMALS; BINDING SITES; HIV INFECTIONS; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; HUMANS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIAZINES;

HUMAN IMMUNODEFICIENCY VIRUS 1; RUMEX;

EID: 84859425469     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2012.01326.x     Document Type: Article

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