The efficacy of conceptual DFT descriptors and docking scores on the QSAR models of HIV protease inhibitors

Medicinal Chemistry

Volumn 8, Issue 5, 2012, Pages 811-825

  Srivastava, Hemant Kumar ^a   Choudhury, Chinmayee ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Conceptual DFT descriptors; Docking; HIV protease inhibitors; QM calculations; QSAR; Statistical correlation

Indexed keywords

2',6' DIMETHYLPHENOXY ACETYL DERIVATIVE; 3 PYRIDYLMETHYL HYDROXYL AMINPENTENAMIDE DERIVATIVE; 4 HYDROXY 5,6 DIHYDROPYRONE DERIVATIVE; AMINODIOL; CYCLIC UREA DERIVATIVE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; INDINAVIR; NELFINAVIR; SAQUINAVIR; TETRAHYDROFURAN DERIVATIVE; UNCLASSIFIED DRUG; UREA DERIVATIVE;

ARTICLE; CONCEPTUAL FRAMEWORK; DENSITY FUNCTIONAL THEORY; ELECTROPHILICITY; HARDNESS; HUMAN; HUMAN CELL; HUMAN IMMUNODEFICIENCY VIRUS 1; HUMAN IMMUNODEFICIENCY VIRUS 2; IC 50; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION OPTIMIZATION; VALIDATION STUDY;

ANTI-HIV AGENTS; COMPUTER SIMULATION; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; RESEARCH DESIGN;

EID: 84863899503     PISSN: 15734064     EISSN: 18756638     Source Type: Journal    
DOI: 10.2174/157340612802084351     Document Type: Article

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