基于网络药理学探讨麻杏石甘汤治疗甲型流感的作用机制  

Mechanism of Maxingshigan decoction in the treatment of influenza A based on network pharmacology

作　　者：陈家卫[1] 黄津 李声忠 刘建帅 林雄[1] 李青[1] 蔡穗珍[2] 赖国祥 Chen Jiawei;Huang Jin;Li Shengzhong;Liu Jianshuai;Lin Xiong;Li Qing;Cai Suizhen;Lai Guoxiang(Department of Infectious Disease,the Second Affiliated Hospital of Fujian University of Traditional Chinese Medicine,Fuzhou 350003,China;Department of Physical Examination,the Second Affiliated Hospital of Fujian University of Traditional Chinese Medicine,Fuzhou 350003,China;Department of Respiratory and Critical Care Medicine,the Second Affiliated Hospital of Fujian University of Traditional Chinese Medicine,Fuzhou 350003,China)

机构地区：[1]福建中医药大学附属第二人民医院感染性疾病科,福州350003 [2]福建中医药大学附属第二人民医院体检中心,福州350003 [3]福建中医药大学附属第二人民医院呼吸与危重症医学科,福州350003

出　　处：《国际呼吸杂志》2024年第6期712-719,共8页International Journal of Respiration

基　　金：福建省自然科学基金面上项目(2023J01814)。

摘　　要：目的基于网络药理学和分子对接技术探讨麻杏石甘汤(MXSGD)对甲型流感的抗病毒作用与机制研究。方法首先通过TCMSP、PubChem、Swiss Target Prediction数据库及文献筛选出MXSGD的活性成分和潜在靶点;采用GeneCards、OMIM筛选疾病相关靶点;通过UniProt数据库标准化靶蛋白基因名称,String数据库获取交集靶蛋白互作关系,运用Cytoscape 3.9.1软件可视化网络图和拓扑分析;David数据库对关键靶点进行GO和KEGG富集;采用分子对接技术对主要活性成分与核心靶点进行验证。结果共筛出MXSGD的135个潜在化合物成分与250个对应靶点。经拓扑分析得到25个关键活性成分(包括槲皮素、甘草查尔酮A等)和66个关键靶点(涉及TNF、TP53、RELA及VEGFA等)与甲型流感密切相关。GO富集得到生物过程、细胞组成和分子功能分别406、32、60条信息;KEGG通路富集得到TNF、AGE-RAGE、IL-17信号通路等161条结果;分子对接显示槲皮素与TNF、TP53具有强烈结合活性,甘草查尔酮A与RELA、VEGFA具有较好结合活性。结论MXSGD具有多成分、多靶点、多通路等抗甲型流感的特点,槲皮素和甘草查尔酮A可以通过作用于核心靶点TNF、TP53、RELA及VEGFA等发挥抗流感的作用。ObjectiveTo investigate the antiviral effect and mechanism of Maxingshigan decoction(MXSGD)on influenza A based on network pharmacology and molecular docking technology.MethodsThe active ingredients and potential targets of MXSGD were screened by TCMSP,PubChem,SwissTarger Prediction database,and literature.GeneCards and OMIM were used to screen disease-related targets.The UniProt database was used to standardize the gene names of target proteins,and the String database was used to obtain the interaction between target proteins.Cytoscape 3.9.1 software was used to visualize the network diagram and analyze the topology.David′s database was used for GO and KEGG enrichment of critical targets.Molecular docking technology was used to verify the main active ingredients and core targets.ResultsA total of 135 potential compounds and 250 corresponding targets of MXSGD were screened out.Topological analysis showed that 25 vital active components(including quercetin,licorice chalkstone A,etc.)and 66 key targets(involving TNF,TP53,RELA,VEGFA,etc.)were closely related to influenza A.GO enrichment obtained 406,32,and 60 pieces of information for BP,CC,and MF,respectively.A total of 161 results of TNF,AGE-RAGE,and IL-17 signaling pathways were obtained by KEGG pathway enrichment.Molecular docking showed that quercetin had a vigorous binding activity with TNF and TP53,and licorice chalone A had fairly good binding activity with RELA and VEGFA.ConclusionsMXSGD has the characteristics of multi-components,multi-targets,and multi-pathways in anti-influenza A.Quercetin and licorice chalcones A show an anti-influenza effect by acting on the core targets TNF,TP53,RELA,and VEGFA.

关 键 词：甲型流感 网络药理学 分子对接 麻杏石甘汤 

分 类 号：R259[医药卫生—中西医结合]