基于网络药理学的“金叶败毒颗粒”防治COVID-19作用机制探索  

Mechanism Exploration of Jinyebaidu Particles Against COVID-19 Based on Network Pharmacology

作　　者：袁发浒[1] 刘丽[1] 巴瑞琪 陈江源 黄丽霞[1] 朱书秀[1] YUAN Fahu;LIU Li;BA Ruiqi;CHEN Jiangyuan;HUANG Lixia;ZHU Shuxiu(School of Medicine,Jianghan University,Wuhan 430056,Hubei,China)

机构地区：[1]江汉大学医学院,湖北武汉430056

出　　处：《江汉大学学报（自然科学版）》2020年第6期23-32,共10页Journal of Jianghan University：Natural Science Edition

基　　金：国家自然科学基金资助项目(81674060)。

摘　　要：目的探寻金叶败毒颗粒治疗新型冠状病毒肺炎(coronavirus disease 2019,COVID-19)的药理作用机制。方法通过中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、中药分子机制的生物信息学分析工具(Bioin⁃formatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine,BATMAN-TCM)检索筛选金叶败毒颗粒中金银花、蒲公英、鱼腥草、大青叶的化学成分和作用靶点。查询OMIM(Online Mendelian Inheritance in Man)、GeneCards数据库获得疾病相关靶点基因,进而运用Cytoscape软件构建药物活性分子-靶点基因作用网络,通过R语言包clusterProfiler进行基因本体(gene ontology,GO)功能注释和基于京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)通路富集分析,预测金叶败毒颗粒对COVID-19的作用机制。结果共筛选获得药物活性分子31个。靶点基因110个,主要包含PTGS2、AR、ESR1、PPARG、PRSS1、NOS2、NR3C2等核心靶点。富集分析得到GO条目2138项(P<0.05),KEGG信号通路134条(P<0.05),主要富集的通路有AGE-RAGE信号通路、动脉粥样硬化、TNF-α信号通路、甲型流感等。结论金叶败毒颗粒的活性化合物能作用于TNF信号等核心炎症通路,从而对COVID-19起到抗氧化损伤、抗炎作用。Objective To explore the pharmacological mechanism of Jinyebaidu Particles in the treatment of coronavirus disease 2019(COVID-19).Methods Through searching Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine(BATMAN-TCM)to select the chemical constituents and action targets of Lonicerae Japonicae Flos,Houttuyniae Herba,Isatidis Folium,Taraxacum mongolicum Hand.-Mazz in Jinyebaidu Particles.The disease-related target genes were obtained by consulting Online Mendelian Inheritance in Man(OMIM)and GeneCards database,and then the drug-active molecules-target gene action network was constructed using Cytoscape software.Gene ontology(GO)functional annotation and enrichment analysis based on Kyoto Encyclopedia of Genes and Genomes(KEGG)pathways were conducted by the R package cluster Profiler to predict the mechanism of action of Jinyebaidu Particles on COVID-19.Results A total of 31 active molecules and 110 target genes were screened,mainly including PTGS2,AR,ESR1,PPARG,PRSS1,NOS2,NR3C2 and other core targets.Enrichment analysis revealed 2138 GO items(P<0.05)and 134 KEGG signaling pathways(P<0.05).The main enrichment pathways included AGE-RAGE signaling pathway,atherosclerosis,TNF-αsignaling pathway,Influenza A pathway.Conclusion The active compounds of Jinyebaidu Particles can act on core inflammatory pathways such as TNF signaling,thus exerting antioxidant damage and anti-inflammatory effects on COVID-19.

关 键 词：金叶败毒 颗粒剂 新型冠状病毒 肺炎 网络药理学 

分 类 号：R285[医药卫生—中药学] R563.14[医药卫生—中医学]