基于网络药理学探讨双黄连口服液抑制新型冠状病毒(2019-nCoV)的分子机制研究  

Study on the Molecular Mechanism of Shuanghuanglian Oral Liquid Inhibiting 2019 Novel Coronavirus(2019-nCoV)based on Network Pharmacology

作　　者：杨志华[1] 闫海峰[1] 闫艳芳 王林[1] 姬艳苏 王淑萍 YANG Zhi-hua;YAN Hai-feng;YAN Yan-fang;WANG Lin;JI Yan-su;WANG Shu-ping(Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;Central Hospital of Lankao Country,Kaifeng 475300,China;Chinese Medical Police Force Special Medical Center,Tianjin 300162,China)

机构地区：[1]天津中医药大学,天津301617 [2]兰考县中心医院,河南开封475300 [3]中国人民武装警察部队特色医学中心,天津300162

出　　处：《中药材》2020年第9期2332-2339,共8页Journal of Chinese Medicinal Materials

摘　　要：目的:运用网络药理学探讨双黄连口服液抑制新型冠状病毒(2019 novel coronavirus,2019-nCoV)的分子机制。方法:从中药系统药理学分析平台(TCMSP)获取双黄连口服液中金银花、连翘、黄芩的化学成分和作用靶点,利用NBCI、GeneCards数据库检索2019-nCoV靶点,将2019-nCoV靶点与双黄连口服液靶点进行Venn分析,筛选二者共同靶点,应用String平台构建蛋白-蛋白相互作用(PPI)网络,并通过DAVID(6.8)在线分析数据工具对共同靶点进行GO富集分析和KEGG通路富集分析,运用Cytoscape3.5.1构建化合物-基因网络、中药-化合物-通路基因-2019-nCoV网络,预测其作用机制。结果:共筛选出双黄连59种化学成分及与抑制2019-nCoV相关的关键靶点45个,靶点主要涉及炎症反应、免疫反应、细胞增殖与凋亡、细胞因子活性、蛋白结合等生物学过程,可能通过甲型流感、乙型肝炎、T细胞受体等信号通路抑制2019-nCoV。结论:双黄连口服液中的槲皮素、黄芩素、汉黄芩素、木犀草素、山柰酚、β-谷甾醇等化学成分可能通过作用于TNF、RELA、IL6、IL1B、CXCL8等靶点调节多条信号通路,从而抑制2019-nCoV。Objective:To analyze the molecular mechanism of Shuanghuanglian Oral liquid inhibiting 2019 novel coronavirus(2019-nCoV)by network pharmacology.Methods:The chemical constituents and action targets of Lonicerae Japonicae Flos,Forsythiae Fructus and Scutellariae Radix in Shuanghuanglian oral liquid were obtained from the traditional Chinese medicine system pharmacology analysis platform(TCMSP).NBCI and GeneCards databases were used to retrieve the targets of 2019-nCoV,the targets of 2019-nCoV and Shuanghuanglian oral liquid were analyzed by Venn to screen the common targets of the two.A protein-protein interaction(PPI)network was constructed using the String platform.Moreover,DAVID(6.8)online analysis data tool was used to conduct GO enrichment analysis and KEGG pathway enrichment analysis for common targets.Cytoscape3.5.1 was used to construct the compounds-genes network and traditional Chinese medicines-compounds-pathway genes-2019-nCoV network to predict the mechanism of action.Results:A total of 59 chemical components of Shuanghuanglian oral liquid and 45 key targets related to the inhibition of 2019-nCoV were screened,the targets were mainly related to inflammatory reaction,immune response,cell proliferation and apoptosis,cytokine activity,protein binding and other biological processes.It might inhibit 2019-nCoV through signaling pathways such as influenza a,hepatitis b and T cell receptor.Conclusion:The chemical components of quercetin,baicalein,wogonin,luteolin,kaempferol,β-sitosterol in Shuanghuanglian oral liquid may regulate multiple signaling pathways by acting on targets such as TNF,RELA,IL6,IL1 B,CXCL8 and other targets to inhibit 2019-nCoV.

关 键 词：网络药理学 新型冠状病毒 双黄连口服液 新型冠状病毒病 

分 类 号：R285.5[医药卫生—中药学]