Computational modeling of tetrahydroimidazo-[4,5,1-jk][1,4]- benzodiazepinone derivatives: An atomistic drug design approach using Kier-Hall electrotopological state (E-state) indices

Journal of Computational Chemistry

Volumn 29, Issue 11, 2008, Pages 1699-1706

  Sapre, Nitin S ^a   Pancholi, Nilanjana ^a   Gupta, Swagata ^b   Sapre, Neelima ^c  

^a SHRI G S INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

^b Govt PG College

^c SD Bansal College of Technology   (India)

Author keywords

Kier Hall E state indices; MLR; NNRTI; pIC50; QSAR; TIBO

Indexed keywords

ANTI-HIV ACTIVITY; COMPUTATIONAL MODELLING; DRUG DESIGNS; HIV 1 REVERSE TRANSCRIPTASE; MULTIPLE LINEAR REGRESSION (MLR); QUANTITATIVE STRUCTURE - ACTIVITY RELATIONSHIPS (QSAR); STATISTICAL MODELLING; TRAINING SETS;

BIOCHEMISTRY; CHEMOTHERAPY; DRUG DELIVERY; FOOD PROCESSING; REGRESSION ANALYSIS; SULFUR COMPOUNDS;

DRUG DOSAGE;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; BENZODIAZEPINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; MICROBIOLOGICAL EXAMINATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTI-HIV AGENTS; BENZODIAZEPINONES; DRUG DESIGN; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 47149114923     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20931     Document Type: Article

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