Objective To study the molecular mechanism of Alatan Wuwei Pills in treatment of chronic gastritis based on network pharmacology and molecular docking technology.Methods To determine the active ingredients of Alatan Wuwei Pills through TCMSP,BATMAN-TCM databases,as well as CNKI,VIP,and Wanfang search databases.To predict active ingredient related targets from Swiss Targer Prediction,SEA,and Pharm Mapper platforms,and chronic gastritis related targets were collected from DisGeNET and GeneCard databases.Intersect the active ingredient target with the disease target,build an interaction network of"drugs-active ingredients-core targets",using the STRING database to construct a PPI network,applying the Metascape database to analyze GO functions and KEGG pathway enrichment.Using the AutoDock 4.2.6 software to perform molecular docking on the key active ingredients of Alatan Wuwei Pills and the core targets in the PPI network to evaluate their binding ability.Results A total of 30 active ingredients were obtained from Alatan Wuwei Pills,and 106 core targets were identified for the treatment of chronic gastritis.Analyzing the PPI network reveals that TNF,ALB,IL-6,Akt1,VEGFA,and EGFR play a major role.GO enrichment analysis mainly involves reactions to inorganic substances,regulation of phosphorylation,regulation of cell death and other biological process,protein kinase activity,protein kinase binding,protein tyrosine kinase activity and other molecular function,membrane rafts,side of membrane,vesicle lumen,receptor complex and other cellular components.KEGG pathway analysis mainly involves cancer pathway,proteoglycan in cancer,AGE-RAGE signaling pathway in diabetes complications,etc.The molecular docking results showed that there was a good affinity between the diterpenoid acid,tannic acid,quercetin and key targets in Alatan Wuwei Pills.Conclusion Alatan Wuwei Pills may act on targets such as TNF,ALB,and IL-6 through the main active ingredients of wulingzhic acid,ellagic acid,quercetin etc,it may be through participating in proteoglycan in cancer,AGE-RAGE signaling pathway in diabetes complications,HIF-1,PI3K/Akt and other signaling pathways.
Alatan Wuwei Pillschronic gastritisnetwork pharmacologymolecular dockingwulingzhic acidellagic acidquercetin
NETL
NSTL
万方数据
