基于网络药理学的麻黄汤治疗新型冠状病毒肺炎潜在机制研究

Network Pharmacology-Based Strategy to Investigate Potential Mechanism of Mahuang Decoction for Treatment of Coronavirus Oneumonia 2019(COVID-19)

目的:运用网络药理学探究麻黄汤治疗新型冠状病毒肺炎(COVID-19)的潜在机制。方法:从TCMSP、TCM-ID数据库检索并筛选得到麻黄汤中的主要活性成分;通过检索Pub Chem数据库得到每种活性成分的SMILES结构并导入Swiss数据库得到预测靶点;采用CTD数据库筛选得到ARDS的已知治疗靶点,使用Uniprot数据库对所有靶点进行名称校正后,取靶点的交集部分导入String数据库筛选得到网络核心靶点;再采用Cyoscape 3.7.1软件构建药物-靶点-疾病网络进行数据可视化,通过CTD数据库进行GO的生物学过程富集分析和KEGG通路富集分析,预测其潜在作用机制。结果:从麻黄汤中筛选得到78个活性成分、24个潜在靶点;GO富集分析得到生物学过程809条;信号通路分析得到249条显著相关通路。结论:麻黄汤通过作用于多个靶点和多条信号通路,协同干预ARDS进程,从而实现对COVID-19的防治作用。

Objective:To explore the potential mechanism of Mahuang decoction in the treatment of ARDS in novel coronavirus pneumonia(COVID-19)patients by network pharmacology.Methods:The main active ingredients in Mahuang decoction were retrieved and screened from TCMSP and TCM-ID databases.The SMILES structure of each active ingredient was obtained by extracting the PubChem database and then imported into the Swiss database to get the predicted target.The CTD database screened the known therapeutic targets of ARDS.The intersection of targets was imported into the String database,and the core targets were screened.Then the software Cytoscape 3.7.1 was used to construct the drug-target-disease network for data visualization,and the biological process of GO and KEGG pathway enrichment analysis were conducted through the CTD database to predict its potential mechanism of action.Results:78 active ingredients and 24 potential targets were screened from Mahuang decoction.GO enrichment analysis resulted in 809 biological processes.Enrichment analysis of signaling pathways showed that 249 pathways had significant correlation with ARDS.Conclusion:By acting on multiple targets and multiple signaling pathways,Mahuang decoction can cooperatively intervene in the ARDS process,to realize the prevention and treatment of COVID-19.