基于网络药理学及分子对接探讨芪石升降归元饮治疗GERD的机制研究

Network Pharmacological Study on the Mechanism of Action of Qishi Shengjiang Guiyuan Decoction in the Treatment of Gastroesophageal Reflux Disease

目的通过网络药理学及分子对接探索芪石升降归元饮作用于胃食管反流病(GERD)的机制。方法利用TCMSP、Batman数据库获取芪石升降归元饮有效活性成分及潜在靶标,利用GeneCards、OMIM、TTD数据库筛选GERD相关靶点;利用String数据库及Cytoscape 3.7.2构建化合物-靶点网络、Venn图以及PPI网络图;利用DAVID网站对筛选出的基因进行GO功能和KEGG通路富集分析。结果共筛选出189种化学成分,对应1747个靶点,得到作用于GERD的交集靶点131个,GO功能分析集中在对细胞死亡、凋亡的调控,细胞老化的调节等方面,KEGG分析得到TNF信号通路、P53信号通路、Toll样受体信号通路及细胞凋亡等信号通路。结论芪石升降归元饮可能通过多成分、多靶点相结合,抑制细胞凋亡,促进食管粘膜修复,发挥治疗GERD的作用。

Objective To explore the mechanism of Qishi Shengjiang Guiyuan Decoction on gastroesophageal reflux disease using network pharmacology technology.Methods The TCMSP and Batman databases were used to obtain the effective active ingredients and potential targets of Qishi Shengjiang Guiyuan Decoction,and the GeneCards,OMIM and TTD databases were used to screen for gastroesophageal reflux disease related targets.The String database and Cytoscape 3.7.2 were used to construct compound-target network,Venn diagram and PPI network diagram.The GO function and KEGG pathway enrichment analysis of the screened genes were performed using the DAVID website.Result A total of 189 chemical components were screened,corresponding to 1747 targets,and 131 intersectional targets acting on gastroesophageal reflux disease were obtained.The GO functional analysis focused on the regulation of cell death and apoptosis,cell aging,etc.The KEGG analysis yielded TNF signalling pathway,P53 signalling pathway,Toll-like receptor signalling pathway and apoptosis signalling pathway.Conclusion Qishi Shengjiang Guiyuan Decoction may act as a treatment for gastroesophageal reflux disease by inhibiting apoptosis and promoting esophageal mucosal repair through the binding of multiple components.