3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment

European Journal of Medicinal Chemistry

Volumn 44, Issue 7, 2009, Pages 2868-2876

  Chen, Yadong ^a   Li, Huifang ^a   Tang, Wanquan ^a   Zhu, Chengchao ^a   Jiang, Yongjun ^b   Zou, Jianwei ^b   Yu, Qingsen ^b   You, Qidong ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

3D QSAR; Conformation; Histone deacetylases enzyme; Pharmacophore

Indexed keywords

AMINO ACID; HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR; HYDROXAMIC ACID; TRICHOSTATIN A;

ARTICLE; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CRYSTAL STRUCTURE; DRUG STRUCTURE; HYDROGEN BOND; IC 50; MOLECULAR MODEL; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HISTONE DEACETYLASES; HUMANS; HYDROXAMIC ACIDS; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67349201703     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2008.12.008     Document Type: Article

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