中华中医药学刊2026，Vol.44Issue(8)：33-35,后插8-后插9,5.DOI:10.13193/j.issn.1673-7717.2026.08.007
甘草香豆素抑制新型冠状病毒RNA聚合酶的实验研究及香豆素小分子的酶抑制活性预测
Experimental Study on Inhibition of Novel Coronavirus RNA Polymerase by Glycycoumarin and Prediction of Enzyme Inhibitory Activity of Coumarin Small Molecules
摘要
Abstract
Objective To study the inhibitory activity of glycycoumarin against the main RNA polymerase of the novel corona-virus and to predict the inhibitory activity of coumarin small molecules against this target enzyme.Methods A cell-based novel coronavirus RNA polymerase catalytic reaction system was used to test the inhibitory activity of glycycoumarin against RNA poly-merase.Molecular docking technology was used to study the interaction mode of glycycoumarin and coumarin small molecules with amino acids at the active site of the main RNA polymerase of the novel coronavirus.Results In the RNA polymerase inhibi-tion assay,glycycoumarin showed inhibition rates were(29.68±4.06)％,(58.30±7.65)％and(86.85±5.78)％at concen-trations of 10,25,50 μmol/L,respectively.Glycycoumarin can enter the active site of RNA polymerase and interact with amino acids in the NTPs channel,releasing free energy of 7.6 kcal/mol during the binding process.Coumarin small molecules can bind to the active site of RNA polymerase and hinder the entry of normal substrate nucleotides.Conclusion Glycycoumarin has signifi-cant inhibitory activity against RNA polymerase.Coumarin small molecules can occupy the NTPs channel and inhibit the biologi-cal function of RNA polymerase.Structural modification based on the coumarin parent nucleus is a potential pathway for the de-velopment of anti-novel coronavirus drugs.关键词
新型冠状病毒/RNA聚合酶/甘草香豆素/活性测试/分子对接/香豆素类小分子Key words
novel coronavirus/RNA polymerase/glycycoumarin/activity assay/molecular docking/coumarin small molecules分类
医药卫生引用本文复制引用
吴巧娜,刘倩,邸琨,刘莎,刘京芳,苏彦雷,赵建元,王宇佳,孙殿兴,岑山..甘草香豆素抑制新型冠状病毒RNA聚合酶的实验研究及香豆素小分子的酶抑制活性预测[J].中华中医药学刊,2026,44(8):33-35,后插8-后插9,5.基金项目
国家自然科学基金项目(81672041) （81672041）
河北省卫生健康委重点科研攻关计划项目(20231303,20241370) （20231303,20241370）
河北省中医药管理局科研计划项目(2024256) （2024256）
