Zinc chelation with hydroxamate in histone deacetylases modulated by water access to the linker binding channel.
about
Inhibition and mechanism of HDAC8 revisited.AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteinsComputational exploration of zinc binding groups for HDAC inhibitionThermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzymeMechanistic insights into a classic wonder drug--aspirin.Valproic acid as a potential inhibitor of Plasmodium falciparum histone deacetylase 1 (PfHDAC1): an in silico approach.Computational design of a time-dependent histone deacetylase 2 selective inhibitor.Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA CalculationInsights from comprehensive multiple receptor docking to HDAC8.Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.Erasers of histone acetylation: the histone deacetylase enzymes.Mutagenesis studies of the 14 Å internal cavity of histone deacetylase 1: insights toward the acetate-escape hypothesis and selective inhibitor design.Targeting histone deacetylase 8 as a therapeutic approach to cancer and neurodegenerative diseases.Aging mechanism of soman inhibited acetylcholinesterase.How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics study.Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An ab initio QM/MM molecular dynamics study.Computational insights for the hydride transfer and distinctive roles of key residues in cholesterol oxidase.How accurate is the description of ligand-protein interactions by a hybrid QM/MM approach?Perfluorinated HDAC inhibitors as selective anticancer agents.Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD).A salt bridge turns off the foot-pocket in class-II HDACs.A QM/MM MD study of the pH-dependent ring-opening catalysis and lid motif flexibility in glucosamine 6-phosphate deaminase.A steered molecular dynamics mediated hit discovery for histone deacetylases.Chiral Mercaptoacetamides Display Enantioselective Inhibition of Histone Deacetylase 6 and Exhibit Neuroprotection in Cortical Neuron Models of Oxidative Stress
P2860
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P2860
Zinc chelation with hydroxamate in histone deacetylases modulated by water access to the linker binding channel.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
Zinc chelation with hydroxamat ...... to the linker binding channel.
@en
Zinc chelation with hydroxamat ...... to the linker binding channel.
@nl
type
label
Zinc chelation with hydroxamat ...... to the linker binding channel.
@en
Zinc chelation with hydroxamat ...... to the linker binding channel.
@nl
prefLabel
Zinc chelation with hydroxamat ...... to the linker binding channel.
@en
Zinc chelation with hydroxamat ...... to the linker binding channel.
@nl
P2093
P2860
P356
P1476
Zinc chelation with hydroxamat ...... to the linker binding channel.
@en
P2093
Yingkai Zhang
Zexing Cao
P2860
P304
P356
10.1021/JA111104P
P407
P577
2011-04-01T00:00:00Z