Simplified Molecular Input-Line Entry System and International Chemical Identifier in the QSAR Analysis of Styrylquinoline Derivatives as HIV-1 Integrase Inhibitors

Chemical Biology and Drug Design

Volumn 77, Issue 5, 2011, Pages 343-360

  Toropova, Alla P ^a   Toropov, Andrey A ^a   Benfenati, Emilio ^a   Gini, Giuseppina ^b  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b POLITECNICO DI MILANO   (Italy)

Author keywords

Anti HIV 1 inhibitory activity; InChI; Optimal descriptor; QSAR; SMILES

Indexed keywords

INTEGRASE INHIBITOR; QUINOLINE DERIVATIVE; STYRYLQUINOLINE DERIVATIVE; UNCLASSIFIED DRUG;

ANTIVIRAL ACTIVITY; ARTICLE; CHEMICAL STRUCTURE; DRUG IDENTIFICATION; ENZYME INHIBITION; HUMAN IMMUNODEFICIENCY VIRUS 1; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM;

HIV INFECTIONS; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; HUMANS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOLINES;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 79954612735     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01109.x     Document Type: Article

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