Exploring the Mechanism of Action of Jianpi Hewei Decoction in the Treatment of Chronic Atrophic Gastritis Based on Network Pharmacology and Molecular Docking Technology
Abstract:Objective:To investigate the potential mechanism of action of Jianpi Hewei Decoction,formulated by Professor LIN Shangzhu,a renowned Chinese medicine practitioner in Zhejiang province,in the treatment of chronic atrophic gastritis (CAG) using network pharmacology and molecular docking technology. Methods: The effective chemical components and their corresponding drug targets of Jianpi Hewei Decoction (be composed of Glycyrrhizae Radix et Rhizoma, Hedyotis Diffusae Herba, Poria, Citri Sarcodactylis Fructus, Salviae Miltiorrhizae Radix et Rhizoma,Pinelliae Rhizoma,Atractylodis Macrocephalae Rhizoma,Citri Reticulatae Pericarpium,Cyperi Rhizoma, and Codonopsis Radix) were identified using the TCMSP database and the Swiss Target Prediction database. CAGassociated targets were collected from the GeneCards and DisGeNET databases. Venn diagrams were used to determine the intersection targets between the drug and the disease. Cytoscape 3.10.1 software was used for visualization and to screen core components based on Degree values. Protein-protein interaction (PPI) networks were constructed in the DAVID database to identify core targets based on betweenness centrality (BC). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed in the DAVID database. Molecular docking was carried out using AutoDock Tools 1.5.6 and PyMoL 2.4.0 software. Results : A total of 229 active component targets, 1 097 drug targets, 1 017 CAG disease targets, and 203 intersection targets were obtained. Isorhamnetin, stigmasterol, quercetin, kaempferol, and luteolin were identified as core key components, which mainly exert therapeutic effects on CAG through key targets such as serine/threonine kinase 1 (AKT1), nonreceptor tyrosine kinase (SRC), signal transducer and activator of transcription 3 (STAT3), and tumor necrosis factor (TNF). KEGG enrichment analysis revealed 181 signaling pathways,mainly related to the phosphatidylinositol- 3-kinase/serine-threonine kinase (PI3K-AKT) and mitogen-activated protein kinase (MAPK) signaling pathways. Molecular docking showed that stigmasterol, one of the active components, had good docking activity with the key target SRC. Conclusion:Jianpi Hewei Decoction may participate in the treatment of CAG through components such as isorhamnetin,stigmasterol,and quercetin,targets such as AKT1,SRC,and STAT3,and pathways such as PI3KAKT and MAPK.