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Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors

Linan Zhao, Le Fu, Guangping Li, Yongxin Yu, Juan Wang, Haoran Liang, Mao Shu, Zhihua Lin, Yuanqiang Wang

2022Molecular Diversity13 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipChemistryADMEMolecular dynamicsStereochemistryHydrogen bondMolecular modelComputational chemistryMoleculeOrganic chemistryBiochemistryIn vitroComputational Drug Discovery MethodsChemical Synthesis and AnalysisHistone Deacetylase Inhibitors Research
Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors | Litcius