Study on the Mechanism of Qifang Weitong Granules(七方胃痛颗粒)in the Treatment of Chronic Atrophic Gastritis Based on Network Pharmacology and Molecular Docking Techniques
Objective To investigate the potential mechanism of CAG in the treatment of CAG by using network pharmacology and molecular docking technology.Methods The active ingredients and potential targets of Qifang Weitong granules were obtained through TCMSP and BATMAN-TCM databases,and CAG disease genes were obtained by using GeneCards,OMIM and PharmGKB databases,and the disease genes and drug targets were intersected to obtain the potential targets of Sevensquare Gas-tric Pain Granules for the treatment of CAG.Cytoscape software and String database were used to map the gene network and pro-tein interaction network(PPI)of traditional Chinese medicine-active ingredient-target-disease."Bioconductor"in R software was used for GO function enrichment and KEGG pathway enrichment analysis.Finally,the molecular docking technology was used to verify the docking of small molecules and proteins,the activity of active compounds combined with key targets was verified,and AutoDock Vina and PyMOL were used to visualize molecular docking and results.Results 221 active ingredients of Qifang Weitong granules were obtained,4120 potential targets,886 CAG-related targets,and 114 intersection targets of drugs and disea-ses.The core genes in the protein interaction network were H1F1A,AKT1,FOS,STAT1,MAPK1etc.and 3999 entries were ob-tained for biological processes,488 entries for molecular functions,and 316 entries for cellular components in GO function enrich-ment analysis.KEGG signaling path enrichment yields 170 signaling pathways.Molecular docking showed that the main active in-gredients of Qifang Weitong granules in the treatment of CAG and their targets tanshinone Ⅱ A-RELA,quercetin-RELA,quer-cetin-STAT1,quercetin-FOS,and quercetin-HIF1A had good binding.Connclusions It was predicted that Qifang Weitong granules and their addition and subtraction could enhance the defense of the gastric mucosa,reduce inflammatory stimulation and relieve CAG,and provide a new therapeutic basis for clinical practice.
Qifang Weitong granules(七方胃痛颗粒)chronic atrophic gastritisnetwork pharmacologymolecular doc-kingmechanism of action
万方数据
维普
