Zinc chelation with hydroxamate in histone deacetylases modulated by water access to the linker binding channel

Journal of the American Chemical Society

Volumn 133, Issue 16, 2011, Pages 6110-6113

  Wu, Ruibo ^a,b   Lu, Zhenyu ^b   Cao, Zexing ^a   Zhang, Yingkai ^b  

^a XIAMEN UNIVERSITY   (China)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BORN-OPPENHEIMER; HDAC INHIBITORS; HISTONE DEACETYLASES; HYDROXAMATE; HYDROXAMIC ACIDS; ISOFORMS; PROTONATED; PROTONATION STATE; QM/MM MD SIMULATIONS; STATE-OF-THE-ART APPROACH; ZINC IONS;

CHELATION; ORGANIC ACIDS; PROTONATION;

ZINC;

HISTONE DEACETYLASE 4; HISTONE DEACETYLASE 7; HISTONE DEACETYLASE 8; HISTONE DEACETYLASE INHIBITOR; HYDROXAMIC ACID; ISOPROTEIN; METALLOPROTEINASE; WATER; ZINC ION;

AQUEOUS SOLUTION; ARTICLE; BINDING COMPETITION; CHELATION; COMPETITIVE INHIBITION; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTON TRANSPORT; QUANTUM MECHANICS; SIMULATION; X RAY DIFFRACTION; ZINC CHELATION;

CHELATING AGENTS; HISTONE DEACETYLASES; HYDROGEN BONDING; HYDROXAMIC ACIDS; QUANTUM THEORY; WATER; ZINC;

EID: 79954998200     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja111104p     Document Type: Article

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