基于网络药理学探讨宣肺清热方治疗COVID-19的分子机制  

Exploration of the mechanism of Xuanfei Qingre Recipe in treating COVID-19 based on network pharmacology

作　　者：曹婧 王昱博 魏秀娟 郑海英 李兰兰[1] CAO Jing;WANG Yubo;WEI Xiujuan(Department of Pharmacy,Gansu Provincial Maternity and Child-Care Hospital,Lanzhou 730000,China)

机构地区：[1]甘肃省妇幼保健院药学部,兰州730000

出　　处：《中国处方药》2024年第11期1-6,共6页Journal of China Prescription Drug

基　　金：兰州市科技局新冠肺炎防控技术研究项目(2020-XG-11)。

摘　　要：目的 基于网络药理学探讨宣肺清热方治疗新型冠状病毒感染(COVID-19)的潜在作用机制。方法 通过中药系统药理学数据库和分析平台(TCMSP)数据库获取宣肺清热方的活性成分及相关作用靶点;通过基因卡片(GeneCards)、在线《人类孟德尔遗传》(OMIM)、药物银行(DrugBank)数据库获取COVID-19的主要作用靶点;获得宣肺清热方与COVID-19共同靶点并制作韦恩图(Venn Diagram);利用基因/蛋白质互相作用检索分析工具(STRING)进行蛋白质-蛋白质相互作用(protein-protein interaction,PPI)分析,构建PPI网络;通过Metascape平台进行基因本体论(GO)功能富集和京都基因与基因组百科全书(KEGG)通路富集分析,采用Cytoscape 3.9.0软件构建“宣肺清热方-活性成分-共同靶点-COVID-19-信号通路”网络。结果 经筛选后获得宣肺清热方活性成分121个、靶点232个,COVID-19靶点2 255个及药物-疾病共同靶点68个,度值(Degree)最大的10个活性成分为槲皮素、山奈酚、木犀草素、β-谷甾醇、豆甾醇、柚皮素、异鼠李素、汉黄芩素、黄芩素和光甘草定,GO及KEGG富集分析结果主要涉及炎症-免疫调节、胞内信号转导、基因调控等多种生物学途径以及癌症通路、白细胞介素-17(IL-17)信号通路、腺苷酸活化蛋白激酶(AMPK)信号通路、钙信号通路、p53信号通路、过氧化物酶增殖物激活受体(PPAR)信号通路等。共同靶点根据度值排名,前10位是雄激素受体(AR)、一氧化氮合酶2(NOS2)、电压门控钠通道5α(SCN5A)、RELA、蛋白激酶B(AKT)1、B淋巴细胞瘤2(BCL2)、肿瘤坏死因子(TNF)、丝裂原激活蛋白激酶1(MAPK1)、核因子κB抑制剂α(NFKBIA)、白细胞介素-6(IL-6)。结论 宣肺清热方中主要化学成分可能作用于多靶点多通路介导炎症-免疫调节等生物学过程,发挥治疗COVID-19的作用。Objective To explore the potential therapeutic mechanism of Xuanfei Qingre Recipe in treating COVID-19 by network pharmacology.Methods TCMSP database were used to obtain the active components and related targets of Xuanfei Qingre Recipe.GeneCards,OMIM and Drugbank database were used to obtain the main targets.Common targets of of Xuanfei Qingre Recipe and COVID-19 were obtained to make the Venn diagram,and the STRING database was used to establish a PPI network.GO functional enrichment analysis and KEGG pathway enrichment analysis were performed by Metascape platform,and then Cytoscape 3.9.0 software was used to construct a network of“Xuanfei Qingre Recipe-covid-active components-common targets-COVID-19-signaling pathway”.Results A total of 121 active components,232 related targets Xuanfei Qingre Recipe,2255 main targets for COVID-19,and 68 common targets were obtained.Degree value(Degree)of the largest 10 active compounds were quercetin,kaempferol,luteolin,β-sitosterol,stigmasterol,naringenin,isorhamnetine,baicalein,baicalein and photoglycyr-rhizine,and the GO and KEGG enrichment analysis results of the targets mainly involve various biological pathways such as inflammation-immune regulation,intracellular signal transduction,gene regulation,IL-17,AMPK,p53,PPAR,calcium signaling pathways,etc.Common targets were ranked according to their degree values,and the top 10 were AR,NOS2,SCN5A,RELA,AKT1,BCL2,TNF,MAPK1,NFKBIA,IL-6.Con-clusion The main chemical components in Xuanfei Qingre Recipe may act on biological processes such as multi-target and multi-pathway-mediated inflammation-immune regulation,and play a role in the treatment of COVID-19.

关 键 词：宣肺清热方 COVID-19 网络药理学 

分 类 号：R285[医药卫生—中药学]