Docking-based CoMFA and CoMSIA study of azaindole carboxylic acid derivatives as promising HIV-1 integrase inhibitors

SAR and QSAR in Environmental Research

Volumn 24, Issue 10, 2013, Pages 819-839

  Yu, S ^a   Wang, P ^a   Li, Y ^a   Liu, Y ^a   Zhao, G ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

3D QSAR; azaindole carboxylic acid derivatives; CoMFA; CoMSIA; docking; HIV 1 integrase inhibitors

Indexed keywords

BINDING ENERGY; CARBOXYLIC ACIDS; COMPUTATIONAL CHEMISTRY; HYDROGEN BONDS; MOLECULES;

3D-QSAR; ANALYSIS MODELS; AZAINDOLE CARBOXYLIC ACID DERIVATIVE; AZAINDOLES; CARBOXYLIC ACID DERIVATIVES; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; DOCKING; HIV-1 INTEGRASE; HIV-1 INTEGRASE INHIBITOR;

ELECTROSTATICS;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

CARBOXYLIC ACID; INDOLE DERIVATIVE; INTEGRASE; INTEGRASE INHIBITOR;

ARTICLE; CHEMISTRY; ENZYMOLOGY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DOCKING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CARBOXYLIC ACIDS; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; INDOLES; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84888015543     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2013.820792     Document Type: Article

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