基于荧光法及分子对接研究黄褐毛忍冬抑制丙型肝炎病毒NS3/4A蛋白酶活性  

Study on anti-hepatitis C virus NS3/4A protease activity of Lonicera fulvotomentosa based on fluorescence method and molecular docking

作　　者：杨欣 肖俊伟 唐婷婷 危英 陈英 向良珊 周英 Yang Xin;Xiao Junwei;Tang Tingting;Wei Ying;Chen Ying;Xiang Liangshan;Zhou Ying(School of Basic Medicine,Guizhou University of Traditional Chinese Medicine,Guiyang 550025;College of Pharmacy,Guizhou University of Traditional Chinese Medicine,Guiyang 550025)

机构地区：[1]贵州中医药大学基础医学院,贵阳550025 [2]贵州中医药大学药学院,贵阳550025

出　　处：《安徽医科大学学报》2023年第5期731-734,共4页Acta Universitatis Medicinalis Anhui

基　　金：贵州省教育厅创新群体项目[编号:黔教合KY字2021(018)号];贵州省科技计划项目[编号:黔科合支撑2020(4Y213)号];国家自然科学基金(编号:81760758);中药、民族药活性评价及药效分子构建研究中心项目(编号:3411-4110000520364)。

摘　　要：目的基于荧光实验及分子对接研究黄褐毛忍冬抗丙型肝炎病毒(HCV)NS3/4A蛋白酶的活性。方法采用荧光法测试黄褐毛忍冬提取物抑制HCV NS3/4A蛋白酶活性,分子对接分析主要活性成分与HCV NS3/4A病毒蛋白酶结合情况。结果黄褐毛忍冬水提物、醇提物能较好的抑制HCV NS3/4A蛋白酶活性,半数抑制浓度(IC_(50))为0.005~0.019 mg/ml。分子对接和相互作用分析发现绿原酸、异绿原酸A、木犀草苷、木犀草素与HCV NS3/4A蛋白酶结合较好,可形成多个氢键。结论初步明确异绿原酸A和木犀草素是黄褐毛忍冬抗HCV NS3/4A蛋白酶活性的有效成分。Objective To study anti-hepatitis C virus NS3/4A protease activity of Lonicera fulvotomentosa based on fluorescence method and molecular docking.Methods The activity of HCV NS3/4A protease inhibition of L.fulvotomentosa extracts was tested by fluorescence method.The binding of the main active ingredients to HCV NS3/4A virus protease was analyzed based on molecular docking.Results The water extract and alcohol extract of L.fulvotomentosa had a good inhibitory effect on the activity of HCV NS3/4A protease with IC_(50) of 0.005-0.019 mg/ml.Based on molecular coupling and interaction analysis,it was found that chlorogenic acid,isochlorogenic acid A,cynaroside and luteolin combined well with HCV NS3/4A protease,forming multiple hydrogen bonds.Conclusion The active components of L.fulvotomentosa against HCV NS3/4A protease activity were isochlorogenic acid A and luteolin.

关 键 词：黄褐毛忍冬 HCV NS3/4A蛋白酶 活性测定 分子对接 

分 类 号：R285[医药卫生—中药学]