Computational design of a time-dependent histone deacetylase 2 selective inhibitor

ACS Chemical Biology

Volumn 10, Issue 3, 2015, Pages 687-692

  Zhou, Jingwei ^a   Li, Min ^a   Chen, Nanhao ^a   Wang, Shenglong ^b   Luo, Hai Bin ^a   Zhang, Yingkai ^b,c   Wu, Ruibo ^a  

^a SUN YAT SEN UNIVERSITY   (China)

^b NEW YORK UNIVERSITY   (United States)

^c NEW YORK UNIVERSITY SHANGHAI   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BETA HYDROXYMETHYL CHALCONE; CHALCONE DERIVATIVE; HISTONE DEACETYLASE 1; HISTONE DEACETYLASE 3; HISTONE DEACETYLASE INHIBITOR; UNCLASSIFIED DRUG; HDAC1 PROTEIN, HUMAN; HDAC2 PROTEIN, HUMAN; HISTONE DEACETYLASE 2; PROTEIN BINDING;

AB INITIO CALCULATION; ARTICLE; BINDING KINETICS; BIOASSAY; DRUG DESIGN; DRUG SYNTHESIS; ENZYME INHIBITION; IC50; MOLECULAR DYNAMICS; PRIORITY JOURNAL; REACTION ANALYSIS; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DEVELOPMENT; HUMAN; HYDROGEN BOND; KINETICS; PROTEIN CONFORMATION; SYNTHESIS; TIME FACTOR;

BINDING SITES; CHALCONES; COMPUTER-AIDED DESIGN; DRUG DESIGN; DRUG DISCOVERY; HISTONE DEACETYLASE 1; HISTONE DEACETYLASE 2; HISTONE DEACETYLASE INHIBITORS; HUMANS; HYDROGEN BONDING; KINETICS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; TIME FACTORS;

EID: 84925643353     PISSN: 15548929     EISSN: 15548937     Source Type: Journal    
DOI: 10.1021/cb500767c     Document Type: Article

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