Computational identification of novel histone deacetylase inhibitors by docking based QSAR

Computers in Biology and Medicine

Volumn 42, Issue 6, 2012, Pages 697-705

  Nair, Syam B ^a   Teli, Mahesh Kumar ^a   Pradeep, H ^a   Rajanikant, G K ^a  

^a NATIONAL INSTITUTE OF TECHNOLOGY CALICUT   (India)

Author keywords

3D QSAR; Anti cancer; Benzimidazole and imidazole inhibitors; Docking; HDAC; Pharmacophore; Virtual screening

Indexed keywords

3D-QSAR; ANTI-CANCER; BENZIMIDAZOLES; HDAC; PHARMACOPHORES; VIRTUAL SCREENING;

DISEASES; DOCKING; GENE EXPRESSION; PHARMACODYNAMICS; PHYSIOLOGY; THREE DIMENSIONAL;

COMPUTATIONAL CHEMISTRY;

HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR;

ARTICLE; COMPUTER ANALYSIS; CORRELATION COEFFICIENT; DRUG ABSORPTION; DRUG BINDING SITE; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG IDENTIFICATION; DRUG METABOLISM; DRUG SCREENING; FISHER EXACT TEST; MOLECULAR DOCKING; MOLECULAR INTERACTION; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANTINEOPLASTIC AGENTS; BENZIMIDAZOLES; CATALYTIC DOMAIN; CHEMISTRY, PHARMACEUTICAL; DRUG DISCOVERY; HISTONE DEACETYLASE 2; HISTONE DEACETYLASE INHIBITORS; HUMANS; IMIDAZOLES; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; REPRODUCIBILITY OF RESULTS; ROC CURVE;

EID: 84861225735     PISSN: 00104825     EISSN: 18790534     Source Type: Journal    
DOI: 10.1016/j.compbiomed.2012.04.001     Document Type: Article

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