藤茶中黄酮类物质抗流感病毒作用机制的分子对接研究  

Study on the Anti-Influenza Mechanism of the Flavonoids in Rattan Tea through Molecular Docking

作　　者：黄权锋 陈泽豪 彭琳 刘丹[1] 丁利君[1] HUANG Quan-feng;CHEN Ze-hao;PENG Lin;LIU Dan;DING Li-jun(Guangdong University of Technology,School of Chemical Engineering and Light Industry,Guangzhou 510006,China;Beijing Institute of Technology,Zhuhai,School of Materials and Environment,Zhuhai 519088,China)

机构地区：[1]广东工业大学轻工化工学院,广东广州510006 [2]北京理工大学珠海学院材料与环境学院,广东珠海519088

出　　处：《时珍国医国药》2020年第9期2053-2055,共3页Lishizhen Medicine and Materia Medica Research

基　　金：国家自然科学基金(21706037);广东工业大学青年百人计划启动基金(220413127)。

摘　　要：目的利用分子对接技术探究藤茶中黄酮类物质抗流感的作用机制。方法选取藤茶中的20个黄酮物质与5个流感病毒靶点:神经氨酸酶、血凝素、流感核蛋白、流感核酸内切酶、离子通道蛋白,进行分子对接,探究对接结果,并分析成分和靶点的相互作用和网络特征。结果对接结果表明它们与流感病毒靶点有良好的对接效果,其中有15个成分与2个或以上的靶点有较强的相互作用,并且以氢键和疏水作用为主。结论藤茶抗流感具有多成分多靶点协同的特点,其中的黄酮物质是抗流感的分子基础。Objective Using molecular docking technology to explore the anti-influenza mechanism of flavonoids in vine tea.Methods In this experiment,20 flavonoids in vine tea were docking with 5 influenza virus targets including neuraminidase,he-magglutinin,influenza nucleoprotein,influenza endonuclease,and ion channel protein.Moreover,the interaction and network characteristics of components and targets were analyzed.Results Docking showed that they have good effect with influenza virus targets,and 15 of them have strong interaction with two or more targets with hydrogen bonding and hydrophobic interaction.Con-clusion The anti-influenza of vine tea has the characteristics of multi-component and multi-target synergy,and the flavonoid substance is the molecular basis of its anti-influenza.

关 键 词：藤茶 黄酮物质 流感病毒靶点 分子对接 

分 类 号：R287[医药卫生—中药学] R285.1[医药卫生—中医学]