藿香正气散治疗新型冠状病毒肺炎伴胃肠道症状的网络药理学研究

Study on Huoxiang Zhengqi Powder in the treatment of coronavirus disease 2019 with gastrointestinal symptoms based on network pharmacology

目的基于网络药理学方法分析藿香正气散治疗新型冠状病毒肺炎伴胃肠道症状的作用机制。方法借助中药系统药理学数据库与分析平台(TCMSP)检索藿香正气散中中药所含化学成分和靶基因,检索GeneCards数据库、人类孟德尔遗传综合数据库(OMIM)获得其与新型冠状病毒肺炎伴胃肠道症状治疗相关的靶基因,采用Cytoscape 3.7.2软件绘制靶基因-中药成分网络图,采用String构建靶基因的蛋白-蛋白相互作用网络图,采用R语言对靶基因进行GO、KEGG通路富集分析,运用SwissDock在线分子对接工具进行分子对接。结果藿香正气散所含中药的224个活性成分与新型冠状病毒肺炎伴胃肠道症状相关的原癌基因(JUN)、丝裂原激活蛋白激酶8(MAPK8)、MAPK14、促生存因子基因(BCL2L1)、表皮生长因子受体、白细胞介素-6(IL-6)等50个靶基因相互作用。GO富集分析得到相关条目共1579个,主要涉及对细菌起源分子的反应、对氧化应激的反应、MAPK活性等信号通路。KEGG通路富集分析得到133条信号通路,主要涉及肿瘤坏死因子信号通路、IL-17信号通路等;分子对接结果显示藿香正气散中柚皮素与靶基因IL-6亲和力较强。结论藿香正气散可通过多靶点、多通路达到治疗新型冠状病毒肺炎伴胃肠道症状的效果。

Objective To analyze the mechanism of Huoxiang Zhengqi Powder in the treatment of coronavirus disease 2019 with gastrointestinal symptoms based on the method of network pharmacology.Methods The chemical components contained in Huoxiang Zhengqi Powder and target genes were searched by traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP).The GeneCards database and online Mendelian inheritance in man(OMIM)were used for finding the target genes related to the treatment of coronavirus disease 2019 with gastrointestinal symptoms.Cytoscape 3.7.2 software were used to draw a network diagram of target genes-traditional Chinese medicine components.The protein-protein interaction network diagram of the target genes was constructed by String,and the enrichment analysis of GO and KEGG pathways of the target genes was performed in R language,and the molecular docking was performed by using the SwissDock online molecular docking tool.Results The 224 active ingredients of traditional Chinese medicine contained in Huoxiang Zhengqi Powder were associated with proto-oncogene(JUN),mitogenactivated protein kinase 8(MAPK8),and MAPK14,bcl-2-like protein1(BCL2L1),epidermal growth factor receptor,interleukin-6(IL-6)and other 50 target genes related to coronavirus disease 2019 with gastrointestinal symptoms.GO enrichment analysis revealed 1579 related items,mainly related to the response to bacterial origin molecules,the response to oxidative stress,and MAPK signal pathways.KEGG pathway enrichment analysis screened 133 signal pathways,mainly related to tumor necrosis factors signal pathway,IL-17 signal pathway,etc.Molecular docking showed naringenin in Hnoxiang Zhengqi Powder and target gene IL-6 had strong affinity.Conclusion Huoxiang Zhengqi Powder can treat coronavirus disease 2019 with gastrointestinal symptoms through multiple targets and pathways.