Grid potential analysis, virtual screening studies and ADME/T profiling on N-arylsulfonylindoles as anti-HIV-1 agents

Journal of Chemometrics

Volumn 27, Issue 6, 2013, Pages 143-154

  Kumar, Surendra ^a   Tiwari, Meena ^a  

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

Author keywords

3D QSAR; AutoGPA; Grid potential analysis; HIV 1; Virtual screening

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; STATISTICAL TESTS;

3D-QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; ANTI-HIV; AUTOGPA; GRID POTENTIAL ANALYSE; GRID POTENTIALS; HIV-1; POTENTIAL ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; VIRTUAL SCREENING;

RISK ASSESSMENT;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; EFAVIRENZ; NEVIRAPINE; ZIDOVUDINE;

ARTICLE; BIOLOGICAL ACTIVITY; BLOOD BRAIN BARRIER; CENTRAL NERVOUS SYSTEM; COMPUTER MODEL; CONTROLLED STUDY; DIAGNOSTIC TEST ACCURACY STUDY; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG METABOLISM; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHILICITY; LIPOPHILICITY; MOLECULAR DOCKING; MOLECULAR WEIGHT; NONHUMAN; PHARMACOKINETICS; PHARMACOPHORE; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RISK ASSESSMENT; ROOT MEAN SQUARED ERROR;

EID: 84878918192     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2502     Document Type: Article

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