基于网络药理学分析宣肺败毒方治疗SARS、MERS和COVID-19的作用机制  

Network pharmacology analysis on mechanisms of Xuanfei Baidu Prescription in treatment of SARS,MERS and COVID-19

作　　者：薛岳进 屈彬 邵瑞[1,2,6] 李霖 田晓轩[1,2,6] 苗琳 王彧[1,2,3] 张晗[1,2,6] 陈璐[1,2,6] 王虹 XUE Yue-jin;QU Bin;SHAO Rui;LI Lin;TIAN Xiao-xuan;MIAO Lin;WANG Yu;ZHANG Han;CHEN Lu;WANG Hong(State Key Laboratory of Component-based Chinese Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;Key Laboratory of Pharmacology of Traditional Chinese Medical Formulae,Ministry of Education,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;School of Integrative Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;Center for Integrative Research in Physiology and Molecular Medicine,Universitat des Saarlandes,Homburg 66421,Germany;INM-Leibniz Institute for New Materials,Saarbrucken 66123,Germany;Institute of Traditional Chinese Medicine,Tianjin Universiry of Traditional Chinese Medicine,Tianjin 301617,China)

机构地区：[1]天津中医药大学组分中药国家重点实验室,天津301617 [2]天津中医药大学中药方剂药理学教育部重点实验室,天津301617 [3]天津中医药大学中西医结合学院,天津301617 [4]德国萨尔大学生理及分子医学整合研究中心,德国霍姆堡66421 [5]德国莱布尼茨新材料研究所,德国萨尔布鲁克66123 [6]天津中医药大学中医药研究院,天津301617

出　　处：《现代药物与临床》2021年第12期2473-2487,共15页Drugs & Clinic

基　　金：国家重点研发计划项目(2021YFE0200300);中国国家重点研发计划项目(2020YFA0708004)。

摘　　要：目的探讨宣肺败毒方对冠状病毒感染治疗作用的有效成分、作用靶点、信号通路等,从而阐释其作用机制。方法利用Cytoscape构建了宣肺败毒方的药物–性–味–归经网络。采用TCMSP数据库、SwissADME数据库和Swiss Target Prediction数据库筛选宣肺败毒方的有效成分和相关靶点,通过GeneCards数据库和CTD数据库收集严重急性呼吸道疾病(SARS)、2012年的中东呼吸综合征(MERS)和新型冠状病毒肺炎(COVID-19)的疾病靶点,将药物靶点和疾病靶点取交集,利用Cytoscape软件构建网络;运用String数据库,对潜在靶点进行蛋白相互作用(PPI)网络模型构建;通过Metascape数据库对潜在靶点进行GO和KEGG富集分析,并且用Cytoscape构建网络。结果宣肺败毒方中有10种药材与肺经有关。从中筛选出167个活性成分和242个潜在作用靶点,核心药物为甘草、麻黄、青蒿、马鞭草、虎杖,核心成分为槲皮素、豆甾醇、山柰酚、木犀草素、异鼠李素等,核心靶点为AKT1、IL-6、TP53、VEGFA、TNF等,可能的作用机制与PI3K-Akt signaling pathway、HIF-1 signaling pathway和TNF signaling pathway等多个信号通路有关。结论通过网络药理学探讨了宣肺败毒方对SARS、MERS和COVID-19的潜在共同作用机制,体现了中药多成分、多靶点、多途径的作用特点。Objective To explore the effective components,target and signal pathway of Xuanfei Baidu Prescription in treatment of coronavirus infection,and to explain its mechanism of action.Methods A network of Character,taste,and meridian of Xuanfei Baidu Prescription was constructed using Cytoscape.Effective components and related targets of Xuanfei Baidu Prescription were selected by using TCMSP database,SwissADME database,and Swiss Target Prediction database.Disease targets of SARS,MERS and COVID-19 were collected using GeneCards database and CTD database.Drug targets and disease targets were intersected,and Cytoscape software was used to construct the network diagram.Using String database,the network model of protein-protein interaction(PPI)was constructed for potential targets.Metascape database was used for GO and KEGG enrichment analysis of potential targets,and Cytoscape was used to construct the network diagram.Results The results showed that 10 ingredients in Xuanfeibaidu Prescription are associated with the Lung meridian.167 active components and 242 potential targets were screened out.The core drugs were Glycyrrhiza uralensis Fisch.,Ephedrae Herba,Artemisia annua L,Verbena officinalis L.,Polygonum cuspidatum Sieb.et Zucc..The core components were quercetin,stigmasterol,kaempferol,luteolin,isorhamnetin.The core targets were AKT1,IL-6,TP53,VEGFA,TNF.The possible mechanism of action is related to several signaling pathways such as PI3 K-Akt signaling pathway,HIF-1 signaling pathway,TNF signaling pathway,and so on.Conclusion This study explored the potential common mechanism of Xuanfei Baidu Prescription on SARS,MERS and COVID-19,reflecting the multi-component,multi-target and multi-pathway characteristics of TCM.

关 键 词：宣肺败毒方 严重急性呼吸道疾病 中东呼吸综合征 新型冠状病毒肺炎 槲皮素 豆甾醇 山柰酚 木犀草素 异鼠李素 

分 类 号：R286.4[医药卫生—中药学]