Histone deacetylase inhibitors: Structure-based modeling and isoform-selectivity prediction

Journal of Chemical Information and Modeling

Volumn 52, Issue 8, 2012, Pages 2215-2235

  Silvestri, Laura ^a   Ballante, Flavio ^a   Mai, Antonello ^a   Marshall, Garland R ^a,b   Ragno, Rino ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; ENZYMES; LIGANDS; MOLECULAR GRAPHICS;

ENZYME INHIBITORS; HDAC INHIBITORS; HISTONE DEACETYLASE INHIBITOR; HISTONE DEACETYLASES; INTEGRATIVE ANALYSIS; QSAR MODEL; STRUCTURE ACTIVITY; STRUCTURE-BASED;

DATA MINING;

BENZAMIDE DERIVATIVE; ENTINOSTAT; HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR; ISOENZYME; PYRIDINE DERIVATIVE; ZINC;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; METABOLISM; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BENZAMIDES; DRUG DESIGN; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HUMANS; ISOENZYMES; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PYRIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; ZINC;

EID: 84865466261     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300160y     Document Type: Article

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