基于网络药理学的黄连解毒汤治疗新型冠状病毒肺炎机制研究

Study on Mechanism of Huanglian Jiedu Decoction in Treating Novel Coronavirus Pneumonia based on Network Pharmacology

目的:基于网络药理学筛选出黄连解毒汤主要活性化合物,预测黄连解毒汤治疗新型冠状病毒肺炎的潜在作用靶点及信号通路,探讨其作用机制。方法:通过TCMSP数据库和相关文献记载检索黄连解毒汤的主要活性化合物,并筛选出药物成分作用靶点;通过GeneCards数据库获取新型冠状病毒肺炎的相关靶标。通过STRING数据库和Cytoscape 3.6.1软件构建药物-化合物-靶标网络、靶标蛋白互作PPI网络。利用DAVID数据库对核心靶点进行GO富集和KEGG通路注释分析。结果:根据筛选条件得到60个化合物和114个药物相应靶点,靶点涉及BCL2、PPARG、PTGS2、IFNG等。PPI核心网络包含16个蛋白,关键蛋白涉及MAPK1、MAPK14、CCL2等。GO功能富集分析得到GO条目43个(P<0.05),KEGG通路富集筛选得到113条通路与新型冠状病毒肺炎相关(P<0.05),涉及白介素-17、缺氧诱导因子-1、肿瘤坏死因子信号通路等。结论:黄连解毒汤中的活性化合物能通过多靶点、多通路治疗新型冠状病毒肺炎。

Objective:To screen out the main active compounds of Huanglian jiedu decoction based on network pharmacology,to predict the potential targets and signaling pathways of Huanglian jiedu decoction in the treatment of novel coronavirus pneumoniaand(NCP)explore its mechanism.Methods:The main active compounds of Huanglian jiedu decoction were searched through TCMSP database and related literature records,and the targets of drug components were screened out;The targets related to NCP were screened by GeneCards database.The drug-compound-target network and target protein interaction PPI network were constructed through STRING database and Cytoscape3.6.1 software.GO enrichment and KEGG pathway annotation analysis of core targets were performed using DAVID database.Results:According to the screening conditions,60 compounds and 114 drug targets,including BCL2,PPARG,PTGS2,IFNG,etc,were obtained.PPI core network contained 16 proteins,including MAPK1,MAPK14 and CCL2,etc.GO functional enrichment analysis obtained 43 GO items(P<0.05),KEGG pathway enrichment analysis obtained 113 pathways related to NCP(P<0.05),involving interleukin-17,hypoxia-inducible factor-1,tumor necrosis factor signaling pathway,etc.Conclusion:The active compounds in Huanglian jiedu decoction can treat the novel coronavirus pneumonia by multiple targets and multiple pathways.