Novel dual-targeting inhibitors of NSD2 and HDAC2 for the treatment of liver cancer: structure-based virtual screening, molecular dynamics simulation, and <i>in vitro</i> and <i>in vivo</i> biological activity evaluations.

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作者： Xing,Jin ^[1] ; Yuting,Wang ^[2] ; Jing,Chen ^[1] ; Miaomiao,Niu ^[2] ; Yang,Yang ^[1] ; Qiaoxuan,Zhang ^[3] ; Guangyu,Bao ^[1]

作者单位： Department of Laboratory Medicine, The Affiliated Hospital of Yangzhou University, Yangzhou University, Yangzhou, China. ^[1] Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China. ^[2] Department of Laboratory Medicine, The Second Affiliated Hospital of Guangzhou University of Chinese Medicine (Guangdong Provincial Hospital of Chinese Medicine), Guangzhou, China.;State Key Laboratory of Dampness Syndrome of Chinese Medicine, The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China. ^[3]

关键词 HDAC2 Liver cancer NSD2 dual-targeting inhibitors virtual screening

主题词人类(Humans);分子动力学模拟(Molecular Dynamics Simulation);后成说, 遗传(Epigenesis, Genetic);组蛋白脱乙酰基酶2(Histone Deacetylase 2);癌症早期检测(Early Detection of Cancer);肝肿瘤(Liver Neoplasms);组蛋白脱乙酰基酶抑制剂(Histone Deacetylase Inhibitors)

DOI 10.1080/14756366.2023.2289355

PMID 38059332

发布时间 2025-01-12

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