基于网络药理学探讨黄芪六君子汤治疗新冠肺炎恢复期的作用机制

Mechanism of Huangqi Liujunzi decoction in treating the recovery stage of COVID-19 based on network pharmacology

基于网络药理学探讨黄芪六君子汤治疗新冠肺炎的作用机制。利用TCMSP、Pubchem、Swiss Target Prediction数据库挖掘黄芪六君子汤中的中药所含化学成分及作用靶点,并经Uniprot数据库标准化,通过GeneCards数据库获得新冠肺炎相关基因,将疾病与药物的靶点进行映射取交集,从STRING数据库下载蛋白-蛋白相互作用(PPI)数据,借助Cytoscape软件构建活性成分-靶点的可视化网络图、蛋白互作网络,筛选出核心靶点,利用R语言进行GO功能和KEGG通路富集分析,并通过Cytoscape软件构建靶点-通路网络。结果表明,筛选得到145个化合物及相应靶点1618个,关键成分包括木犀草素、山柰酚、川皮苷、柚皮素、黄芩素、金合欢素等,关键靶点包括丝裂原活化蛋白激酶1/3/8/14、半胱氨酸天冬氨酸蛋白酶3/8、白介素6/1β、白蛋白,细胞凋亡调节蛋白、人前列腺素内过氧化物合酶2、原癌基因、RELA原癌基因等。GO功能富集分析显示生物学过程1421条,分子功能63条,细胞组成36条;KEGG通路富集分析显示41条通路,主要涉及PI3K-Akt信号通路、细胞凋亡、内分泌阻力、MAPK信号通路、Toll样受体信号通路、破骨细胞分化等。研究认为黄芪六君子汤可能通过抗病毒、抗炎、免疫调节等作用机制对新冠肺炎发挥治疗作用。

We aimed to investigate the mechanism of Huangqi Liujunzi decoction in the treatment of COVID-19 based on Network Pharmacology.The chemical components and targets of Huangqi Liujunzi decoction were collected from the databases of TCMSP,Pubchem,and Swiss Target Prediction and standardized using the Uniprot database.COVID-19 related genes were obtained by the GeneCards database,and we further mapped the common genes of disease and drugs.The protein-protein interaction data were downloaded from the STRING database,and the components-key targets visual network graph and protein interaction network were constructed using Cytoscape software to screen out the core targets.The GO function and KEGG pathway enrichment were analyzed by R language algorithm,and the target-pathway network was constructed using Cytoscape software.The results showed that 145 compounds and 1618 corresponding targets were screened.The key active components included luteolin,kaempferol,nobiletin,naringenin,baicalein,and acacetin.The key targets included MAPK1/3/8/14,CASP3/8,IL6/1β,ALB,apoptosis regulatory protein,PTGS2,protooncogene,and protooncogene of REL.GO function enrichment analysis included 1421 biological processes,63 molecular functions,and 36 cell components;KEGG pathway enrichment analysis revealed 41 pathways,including PI3K-Akt signaling pathway,apoptosis,endocrine resistance,MAPK signaling pathway,Toll-like receptor signaling pathway,and osteoclast differentiation.Huangqi Liujunzi Decoction has a therapeutic effect on COVID-19 through antiviral,anti-inflammatory,and immune regulation mechanisms.