Toward selective histone deacetylase inhibitor design: Homology modeling, docking studies, and molecular dynamics simulations of human class I histone deacetylases

Journal of Medicinal Chemistry

Volumn 48, Issue 22, 2005, Pages 6936-6947

  Wang, Di Fei ^a   Helquist, Paul ^a   Wiech, Norbert L ^b   Wiest, Olaf ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b Errant Gene Therapeutics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 [N (2 HYDROXYETHYL) N [2 (3 INDOLYL)ETHYL]AMINOMETHYL]CINNAMOHYDROXAMIC ACID; CG 1521; HISTONE DEACETYLASE; HISTONE DEACETYLASE 1; HISTONE DEACETYLASE 2; HISTONE DEACETYLASE 3; HISTONE DEACETYLASE 8; HISTONE DEACETYLASE INHIBITOR; ISOENZYME; N (2 AMINOPHENYL) 4 (3 PYRIDINYLMETHOXYCARBONYLAMINOMETHYL)BENZAMIDE; SK 683; TRICHOSTATIN A; UNCLASSIFIED DRUG; VORINOSTAT;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CELL DIFFERENTIATION; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; GENETIC TRANSCRIPTION; HUMAN; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEOTIDE SEQUENCE; PROTEIN SECONDARY STRUCTURE; STRUCTURAL HOMOLOGY;

AMINO ACID SEQUENCE; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HISTONE DEACETYLASES; HUMANS; ISOENZYMES; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; REPRESSOR PROTEINS; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 27444435580     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0505011     Document Type: Article

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