目的 探討宣肺敗毒方對冠狀病毒感染治療作用的有效成分、作用靶點、信號通路等，從而闡釋其作用機制。方法 利用Cytoscape構(gòu)建了宣肺敗毒方的藥物–性–味–歸經(jīng)網(wǎng)絡(luò)。采用TCMSP數(shù)據(jù)庫、SwissADME數(shù)據(jù)庫和Swiss Target Prediction數(shù)據(jù)庫篩選宣肺敗毒方的有效成分和相關(guān)靶點，通過GeneCards數(shù)據(jù)庫和CTD數(shù)據(jù)庫收集嚴重急性呼吸道疾病（SARS）、2012年的中東呼吸綜合征（MERS）和新型冠狀病毒肺炎（COVID-19）的疾病靶點，將藥物靶點和疾病靶點取交集，利用Cytoscape軟件構(gòu)建網(wǎng)絡(luò)；運用String數(shù)據(jù)庫，對潛在靶點進行蛋白相互作用（PPI）網(wǎng)絡(luò)模型構(gòu)建；通過Metascape數(shù)據(jù)庫對潛在靶點進行GO和KEGG富集分析，并且用Cytoscape構(gòu)建網(wǎng)絡(luò)。結(jié)果 宣肺敗毒方中有10種藥材與肺經(jīng)有關(guān)。從中篩選出167個活性成分和242個潛在作用靶點，核心藥物為甘草、麻黃、青蒿、馬鞭草、虎杖，核心成分為槲皮素、豆甾醇、山柰酚、木犀草素、異鼠李素等，核心靶點為AKT1、IL-6、TP53、VEGFA、TNF等，可能的作用機制與PI3K-Akt signaling pathway、HIF-1 signaling pathway和TNF signaling pathway等多個信號通路有關(guān)。結(jié)論 通過網(wǎng)絡(luò)藥理學(xué)探討了宣肺敗毒方對SARS、MERS和COVID-19的潛在共同作用機制，體現(xiàn)了中藥多成分、多靶點、多途徑的作用特點。

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 PI3K-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.

R286.4

國家重點研發(fā)計劃項目（2021YFE0200300）；中國國家重點研發(fā)計劃項目（2020YFA0708004）