摘要
目的 运用网络药理学方法探讨辟瘟丹预防新型冠状病毒感染(COVID-19)的作用机制.方法 通过TCMSP数据库检索辟瘟丹的化学成分及作用靶点;通过GeneCards、OMIM、PharmGKB、TTD和DrugBank数据库查询COVID-19的相关靶点;借助STRING网站进行蛋白质互相作用分析;利用Cytoscape3.9.0软件构建药物成分-靶点网络,分析获得辟瘟丹预防COVID-19的核心靶点;利用R语言和KOBAS数据库分别进行GO和KEGG富集分析.结果 辟瘟丹化学成分共115个,靶点共2 378个,辟瘟丹和COVID-19有重叠靶点101个,核心靶点为TP53、HSP90AA1、AKT1、MAPK3;KEGG富集分析得到信号通路102条,主要涉及IL-17信号通路、TNF信号通路、P53信号通路、AGE-RAGE信号通路等;GO分析后共得到生物学过程2 359个、细胞组成423个、分子功能161个.结论 辟瘟丹能够通过TP53、HSP90AA1、AKT1、MAPK3靶点,IL-17、TNF、P53、AGE-RAGE信号通路途径达到调节细胞凋亡、促进机体免疫、抗病毒等作用,发挥预防COVID-19的药理作用.
Abstract
Objective To explore the mechanism of Biwen Pills in preventing COVID-19 based on network pharmacology.Methods The chemical components and targets of action of Biwen Pills were retrieved through the TCMSP database;the disease targets were screened by searching the GeneCards,OMIM,PharmGKB,TTD and DrugBank databases.Then STRING was applied to build the network of protein-protein interaction network(PPI).Cytoscape 3.9.0 software was used to build the"drug-target"network diagram and core targets of Biwen Pills in preventing COVID-19 were obtained.The R language and KOBAS database was used to perform GO and KEGG enrichment analysis.Results There were 115 chemical components in Biwen Pills,with a total of 2378 target points.There were 101 overlapping targets between Biwen Pills and COVID-19,with the main core targets being TP53,HSP90AA1,AKT1,and MAPK3;102 signaling pathways were obtained from KEGG analysis,mainly involving IL-17 signaling pathway,TNF signaling pathway,p53 signaling pathway,AGE-RAGE signaling pathway,etc;after GO analysis,a total of 2 359 biological processes,423 cell compositions,and 161 molecular functions were obtained.Conclusion Biwen Pills can regulate apoptosis,promote immunity and anti-virus through TP53,HSP90AA1,AKT1,MAPK3 targets,IL-17,TNF,P53,AGE-RAGE signaling pathways,and exert pharmacological therapeutic effects in preventing COVID-19.
基金项目
中国中医科学院科技创新工程项目(CI2021A00704-4)
中国中医科学院基本科研业务自主选题项目(ZZ11-057)
国家级大学生创新创业训练计划(2022)(202210344038)
国家科技期刊平台
NSTL
万方数据