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

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.