首页> Bioorganic chemistry> Identification of N-(3-(methyl(3-(orotic amido)propyl)amino)propyl) oleanolamide as a novel topoisomerase I catalytic inhibitor by rational design, molecular dynamics simulation, and biological evaluation.

Identification of N-(3-(methyl(3-(orotic amido)propyl)amino)propyl) oleanolamide as a novel topoisomerase I catalytic inhibitor by rational design, molecular dynamics simulation, and biological evaluation.

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第一作者： Huang,Zeng

第一单位： Institute of Hakka Medicinal Bio-resources, Medical College, Jiaying University, Meizhou 514031, China.

作者： Huang,Zeng ^[1] ; Huasong,Xie ^[1] ; Qiaonan,Ma ^[1] ; Yuanbei,Zhuang ^[1] ; Baoping,Luo ^[1] ; Mei,Liao ^[1] ; Hua,Nie ^[1] ; Junwei,He ^[2] ; Zhanyong,Tang ^[3] ; Shengyuan,Zhang ^[4]

作者单位： Institute of Hakka Medicinal Bio-resources, Medical College, Jiaying University, Meizhou 514031, China. ^[1] Jiangxi University of Chinese Medicine, Nanchang 330004, China. ^[2] School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China. Electronic address: tangzhy6@mail2.sysu.edu.cn. ^[3] Institute of Hakka Medicinal Bio-resources, Medical College, Jiaying University, Meizhou 514031, China. Electronic address: mcdullzhang@163.com. ^[4]

关键词 Antitumor Molecular dynamics simulation Oleanolic acid derivative Rational design Topoisomerase I catalytic inhibitor

医学主题词拓扑异构酶I抑制剂(Topoisomerase I Inhibitors);分子动力学模拟(Molecular Dynamics Simulation);DNA拓扑异构酶类, Ⅰ型(DNA Topoisomerases, Type I);齐墩果酸(Oleanolic Acid);抗肿瘤药(Antineoplastic Agents)

DOI 10.1016/j.bioorg.2023.106734

PMID 37473480

发布时间 2023-08-14

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