连花清瘟胶囊干预新冠肺炎炎症机制的网络药理学研究

Network Pharmacological Study of Lianhua Qingwen Capsule in Intervention of Inflammation Mechanism of COVID-19

通过网络药理学的方法,从炎症角度探讨连花清瘟胶囊干预新型冠状病毒肺炎可能的作用机制。借助TCMSP数据库和GeneCards数据库分别检索化学活性成分和相关靶点,运用Cytoscape软件和STRING数据库构建活性成分和靶点的网络,通过富集分析筛选连花清瘟胶囊中的药物针对新冠肺炎病毒的通路,采用分子对接技术将活性化合物和核心靶点进行对接打分。结果表明,通过数据库从连花清瘟胶囊含有的中药里获得活性成分174个、药物靶点907个,潜在靶点57个,其中关键靶点涉及IL6, TNF, TLR4,CXCL8和NOS2等,分子对接结果显示山奈酚、槲皮素和芫花素可能在新型冠状病毒肺炎治疗中起关键作用,三者均可抑制炎症介质NO的表达。本研究筛选了连花清瘟胶囊干预新冠肺炎的关键靶点和化合物,为连花清瘟胶囊药效和机制研究提供新的认识。

This study aims to explore the possible mechanism of Lianhua Qingwen capsule in the intervention of novel coronavirus pneumonia from the perspective of inflammation by using network pharmacology. TCMSP database and GeneCards database are used to search for chemical constituents in Lianhua Qingwen capsules and drug targets. The network of active constituents and targets is constructed by using Cytoscape software and String database, enrichment analysis is used to screen the pathways of drugs in Lianhua Qingwen Capsules against novel coronavirus pneumonia, and molecular docking technology is used to score the docking of active compounds and core targets. The results show that a total of 174 active ingredients, 907 drug targets, and 57 potential targets are obtained from the traditional Chinese medicine contained in Lianhua Qingwen Capsules through the database. The key targets involve IL6, TNF, TLR4, CXCL8 and NOS2, etc. The results of molecular docking show that kaempferol, quercetin, and genkwanin may play a key role in the treatment of novel coronavirus pneumonia, and they all inhibit the expression of inflammatory mediator NO. This study screen out the key targets and compounds of novel coronavirus pneumonia, which provides a new understanding for the pharmacodynamics and mechanism of Lianhua Qingwen capsule.