[关键词]
[摘要]
目的 采用网络药理学方法从“湿邪”角度探讨中医药治疗新型冠状病毒肺炎(COVID-19)的作用机制。方法 用Cytoscape软件构建《新型冠状病毒肺炎诊疗方案(试行第七版)》中治疗COVID-19轻型和普通型阶段4个方剂寒湿郁肺方、湿热蕴肺方、寒湿阻肺方、湿毒郁肺方的“方剂-中药”网络;利用TCMSP数据库预测筛选相关中药的有效活性成分并分别整理出每个方剂的成分;借助OmicShare平台绘制4个方剂成分的韦恩图;在Swiss Target Prediction平台预测各方剂共有成分的靶点,并在GeneCards数据库获取COVID-19相关靶点,将二者绘制为韦恩图,筛选出共有靶点;用STRING平台分析共有靶点和血管紧张素转化酶II(ACE2)的蛋白-蛋白相互作用(PPI)网络;用DAVID数据库对共有靶点进行KEGG通路和GO富集分析,以及所有预测靶点与HIV病毒蛋白的相互作用分析;通过OmicShare平台和Cytoscape软件对结果进行可视化处理。结果 筛选出4个方剂的22个共有成分,预测到的268个靶点中有31个与COVID-19相关,其中3个靶点与ACE2有直接的相互作用,有129个靶点与4个HIV蛋白存在相互作用,通过KEGG通路和GO富集分析,分别筛选出87条通路和141条条目。结论 确定了治疗COVID-19 4个方剂的共有成分与湿邪的联系;推断中医药从“湿邪”治疗COVID-19的作用机制可能包括抗病毒、抗炎症、调控免疫系统、负向调节宿主细胞凋亡、消血栓、修复肺部损伤等;2-羟基异氧丙基-3-羟基-7-异戊烯-2,3-二氢苯并呋喃-5-羧酸具有较大的潜在抗疫活性。
[Key word]
[Abstract]
Objective To explore the mechanism of traditional Chinese medicine for the treatment of coronavirus disease 2019 (COVID-19) from the perspective of "pathogenic dampness". Methods Firstly, the prescription-herb network of the four prescriptions for the treatment of light and normal periods in Treatment Options of Novel Coronavirus Pneumonia (trial version 7) was constructed by Cytoscape software. Next, the TCMSP database was used to predict and screen the effective active ingredients of related traditional Chinese medicine and sort out the ingredients of each prescription separately. Venn diagram of the ingredients of the four prescriptions was drawn with the help of OmicShare platform. Integrating the targets of the common ingredients of the four formulations predicted on the Swiss Target Prediction platform and the targets related to COVID-19 obtained in GeneCards database into Venn diagram to screen the common targets. The STRING platform was used to analyze the protein-protein interactions (PPI) between the common targets and ACE2. Furthermore, KEGG pathway analysis and GO enrichment analysis were carried out by the DAVID platform, the analysis of interaction between targets and HIV proteins was investigated as well. Based on these above studies, the results were visualized using the OmicShare platform and Cytoscape software. Results Among the 268 targets predicted through the 22 screened common ingredients of the four formulations, 31 were related to COVID-19, among which three had direct interaction with ACE2. In addition, 129 targets had interaction with four HIV proteins. A total of 87 signal pathways and 141 GO items were screened by KEGG pathway analysis and GO enrichment analysis.Conclusion After determining the association between common ingredients and pathogenic dampness, it can be inferred that the mechanism of TCM for the treatment of COVID-19 based on the method of "pathogenic dampness" might include anti-virus, anti-inflammation, regulation of immune system, negative regulation of host cell apoptosis, antithrombotic, pulmonary injury repair and so on. 2-Hydroxyisooxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid had a large potential anti-epidemic activity.
[中图分类号]
R285.5
[基金项目]
四川省高校科研创新团队建设计划(18TD0017);成都中医药大学“杏林学者”学科人才科研提升计划(XGZX2009,CXTD2018018,ZYTS2019004,02004909)