基于网络药理学探讨两种中药汤剂治疗新型冠状病毒肺炎的作用机制

Network pharmacological study on the mechanisms of two traditional chinese medicine decoctions in the treatment of novel coronavirus pneumonia

目的采用网络药理学,探讨《新型冠状病毒肺炎诊疗方案(试行第七版)》中不换金正气散合麻黄羌活汤和化湿败毒方治疗新型冠状病毒肺炎的潜在作用机制。方法应用Cytoscape软件,通过TCMSP、Stitch和SwissTargetPrediction等数据库构建“中药活性成分靶点”网络图;借助GeneCards、OMIM和DrugBank等数据库获取疾病靶点;利用Venny 2.1.0获取交集靶点,再通过STRING和Cytoscape双重筛选得到核心靶点,并绘制PPI网络;通过David数据库进行GO和KEGG生物学分析。结果得到疾病潜在靶点487个,两种中药汤剂分别得到活性成分92种和247种,潜在药物靶点408个和613个,核心靶点14个和15个,GO生物过程99条和120条,细胞组分各11条,分子功能18条和25条,KEGG信号通路96条和92条。结论两种汤剂通过多成分、多靶点、多通路产生协同作用治疗新型冠状病毒肺炎。

Objective To explore the active components,targets,signaling pathways and the mechanism of Buhuanjin Zhengqisanhemahuangqianghuo(BHM)Decoction and Huashibaidu(HSBD)Prescription in the treatment of novel coronavirus pneumonia(2019-nCoV)by network pharmacology.Methods The active components of BHM Decoction and HSBD Prescription were screened by TCMSP database.The corresponding drug targets of the active components were searched by Stitch database and Swiss Target Prediction database.The Genecards database,OMIM database and DrugBank database were used to screen the predicted targets of coronavirus and coronavirus pneumonia.The intersection targets of disease targets and drug targets were obtained by Venny 2.1.0,and the intersection targets were imported into the String database.To construct the PPI network by removing isolated targets,the highest confidence was used as the condition to filter,and the key targets were shown.Importing the key targets into the software of Cytoscape 3.7.2,PPI network was drawn and the core targets were obtained by selecting the key targets larger than the average degree and average betweenness.Importing the core targets into David,enrichment analysis of GO and KEGG pathway was conducted by David.Results By network pharmacology,487 potential targets of 2019-nCoV were obtained.92 active components,408 corresponding targets,14 core targets,99 GO biological processes,11 GO cell composition,18 GO molecular function and 96 KEGG signaling pathways in BHM Decoction were obtained.247 active components,613 corresponding targets,15 core targets,120 GO biological processes,11 GO cell composition,25 GO molecular function and 92 KEGG signaling pathways in HSBD Prescription were obtained.Conclusion BHM Decoction and HSBD Prescription have a synergistic effect to treat 2019-nCoV by multi-components,multi-targets and multiple signaling pathways.