换一批
换一批Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking.
作者：
关键词
3D – three-dimensionalGAFF – Generalized Amber Force FieldHATs – Histone acetyltransferasesHDAC1HDACi – Histone deacetylase inhibitorHDACs – Histone deacetylasesHIF – hypoxia-inducible factorHsp-90 – heat-shock proteinMD – Molecular dynamicMM – molecular mechanicsMMGBSA – Molecular-Mechanics-Generalized-Born-Surface-AreaNAD – Nicotinamide adenine dinucleotidePDB – protein data bankRMSD – root mean square deviationRMSF – root mean square fluctuationRg – radius of gyrationSAHA – suberanilohydroxamic acidZBG – zinc-binding groupdockingmolecular dynamicsmolecular mechanics-generalized-Born surface area
主题词
氨基酸序列(Amino Acid Sequence);结合部位(Binding Sites);药物设计(Drug Design);组蛋白脱乙酰基酶1(Histone Deacetylase 1);组蛋白脱乙酰基酶抑制剂(Histone Deacetylase Inhibitors);半数抑制浓度(Inhibitory Concentration 50);配体(Ligands);分子动力学模拟(Molecular Dynamics Simulation);热力学(Thermodynamics)
DOI
10.1080/07391102.2018.1441072
PMID
29447615
发布时间
2019-09-03
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