基于网络药理学探讨藿香正气液干预新型冠状病毒感染的潜在靶点

Discussion on potential targets of HuoXiangZhengQiYe in intervention of SARS-CoV-2 infection based on network pharmacology

目的利用网络药理学方法分析国家卫生健康委员会关于新型冠状病毒肺炎诊疗方案(试行第七版)中推荐的藿香正气液干预新型冠状病毒肺炎(COVID-19)的靶点与潜在的作用机制。方法从ETCM和TCMID数据库中搜寻藿香正气液各成分的化合物和靶点,从DrugBank中检索抗病毒药物的靶点,用Cytoscape软件构建和分析网络,用DAVID平台和STRING平台对核心靶点进行各项功能富集分析。结果藿香正气液中84个活性化合物对应601个靶点,其中NR1H2是利托那韦和藿香正气液共有的重要靶点;蛋白-蛋白相互作用网络中核心靶点80个,度值排名前五的依次是NCOA1、JUN、TP53、CSNK2B和HSP90AA1;与抗病毒有关的靶点有NR1H2、AKT1等。KEGG通路与人T细胞白血病病毒1(HTLV-1)感染、卡波西肉瘤相关的疱疹病毒感染、小细胞肺癌、非小细胞肺癌、炎症性肠病等相关。结论与抗病毒药物相比,藿香正气液通过多个化合物、多靶点、多通路发挥作用。该方法初步揭示了藿香正气液治疗COVID-19的有效成分及潜在靶点,为其活性成分研究和实验研究提供理论依据。

Objective To analyze the HuoXiangZhengQiYe(HXZQ),and antiviral drugs that were recommended by the national health commission(trial version 7),and to collect the targets and potential mechanism of HXZQ to the COVID-19.Methods Compounds and targets of each herb in HXZQ were collected from ETCM and TCMID database,the targets of western drugs were retrieved from DrugBank.We used Cytoscape software to construct networks,DAVID platform and STRING platform were used to carry out functional enrichment analysis of the core target.Results There were 601 targets corresponding to 84 active compounds in the HXZQ,among them,NR1H2 is an important target Shared by ritonavir and HXZQ.There are 80 core targets in the PPI network,and the top 5 targets are NCOA1,JUN,TP53,CSNK2B and HSP90AA1.The targets related to antivirus include NR1H2,AKT1,etc.The Gene Encyclopedia(KEGG)pathway involves HTLV-1 infection、Kaposi′s sarcoma-associated herpesvirus infection、small cell lung cancer、Non-small cell lung cancer.Conclusion Compared with western antiviral drugs,HXZQ regulate human body through multiple compounds-multiple targets-multiple pathways.This method preliminarily revealed the effective components and potential targets of HXZQ against the COVID-19,which provides theoretical basis for the study of its active ingredients and experimental research.