基于网络药理学的宣肺败毒汤治疗新型冠状病毒肺炎机制研究

Mechanism of Xuanfei Baidu Tang in treatment of COVID-19 based on network pharmacology

挖掘整理宣肺败毒汤(Xuanfei Baidu Tang,XFBD)的主要活性成分及其靶标,分析靶标与新型冠状病毒肺炎(COVID-19)之间的关联,探讨宣肺败毒汤多成分、多靶标治疗COVID-19的作用机制。从TCM-PTD,ETCM,TCMSP,SymMap数据库检索该方各味药的主要化学成分,从2015年版《中国药典》获取每味药材的归经信息,并从TCM-PTD,ETCM,TCMSP,TargetNet等数据库获取主要化学成分的靶标信息。采用Cytoscape软件构建网络模型并进行网络分析,用DAVID和STRING进行靶标功能富集分析。宣肺败毒汤13味中药有10味归肺经,其主要化学成分的1 224个潜在靶标中有326个与COVID-19相关,其中109个重要靶标富集在病毒感染和肺部损伤相关的疾病通路。这些重要靶标调控的主要通路涉及病毒感染、能量代谢、免疫炎症、细菌感染等方面。宣肺败毒汤通过多味中药配伍发挥多成分、多靶标整体调控作用,其主要作用病位在肺,其主要成分可通过调控病毒感染、免疫炎症、肝胆代谢功能和能量代谢等与新型冠状病毒肺炎发生发展相关的生物学过程,发挥平衡免疫炎症反应、对抗病毒感染与病毒蛋白转录、恢复机体肝胆代谢和能量代谢平衡等作用。

The study aimed to investigate the multi-constituent, multi-target mechanism of Xuanfei Baidu Tang(XFBD) in the treatment of coronavirus disease 2019(COVID-19), through exploring the main ingredients and effective targets of XFBD, as well as analyzing the correlation between XFBD targets and COVID-19. The compounds of each herb in XFBD were collected from TCM-PTD, ETCM, TCMSP and SymMap database. Next, the information of meridian tropisms was collected from Chinese Pharmacopoeia(2015 edition), and the target information of the major constituents of XFBD were obtained from TCM-PTD, ETCM, TCMSP and TargetNet database. Subsequently, the target network model and the major modules were generated by Cytoscape, and the functional enrichment analysis of XFBD targets were completed by DAVID and STRING. As a result, ten of the 13 herbs in XFBD belonged to the lung meridian, and 326 of the 1 224 putative XFBD targets were associated with the disease target of COVID-19, among which 109 targets were enriched in the disease pathways of viral infection and lung injury. The main biological pathways regulated by the key XFBD targets included viral infection, energy metabolism, immunity and inflammation, parasites and bacterial infections. In conclusion, the therapeutic mechanism of XFBD in COVID-19 showed a multi-herb, multi-constituent, multi-target pattern, with lung as the chief targeted organ. By regulating a series of biological pathways closely related to the occurrence and development of diseases, XFBD plays a role in balancing immunity, eliminating inflammation, regulating hepatic and biliary metabolism and recovering energy metabolism balance.