Exploring the potential binding sites of some known HDAC inhibitors on some HDAC8 conformers by docking studies

Applied Biochemistry and Biotechnology

Volumn 173, Issue 7, 2014, Pages 1907-1926

  Sixto López, Yudibeth ^a   Gómez Vidal, José A ^b   Correa Basurto, José ^a  

^a INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^b UNIVERSITY OF GRANADA   (Spain)

Author keywords

APHA; Docking; HDAC8; Molecular dynamic simulations; SAHA; Tubacin; VPA

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; DOCKING; LIGANDS; MOLECULAR DYNAMICS; ORGANIC ACIDS;

APHA; HDAC8; SAHA; TUBACIN; VPA;

BINDING SITES;

AROYL PYRROLE HYDROXY AMIDE; HISTONE DEACETYLASE 8; HISTONE DEACETYLASE INHIBITOR; HYDROXAMIC ACID; TUBACIN; UNCLASSIFIED DRUG; VALPROIC ACID; VORINOSTAT; HDAC8 PROTEIN, HUMAN; HISTONE DEACETYLASE; REPRESSOR PROTEIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CATALYTIC SITE POCKET; CONFORMATIONAL TRANSITION; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME MODIFICATION; ENZYME STABILITY; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; STATIC ELECTRICITY; AMINO ACID SEQUENCE; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG EFFECTS; HUMAN; METABOLISM; MOLECULAR GENETICS; PROTEIN CONFORMATION;

AMINO ACID SEQUENCE; BINDING SITES; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; REPRESSOR PROTEINS;

EID: 84906059833     PISSN: 02732289     EISSN: 15590291     Source Type: Journal    
DOI: 10.1007/s12010-014-0976-1     Document Type: Article

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