Analysis of Mechanism of Nanqi Qingyou Prescription in Treating Helicobacter pylori Infection Based on Network Pharmacology and Molecular Docking Technology
Abstract:Objective:To analysis the potential mechanism of Nanqi Qingyou Prescription in treating Helicobacter pylori( Hp) infection using network pharmacology and molecular docking technology. Methods:The active components of Nanqi Qingyou Prescription were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), literature retrieval, and SwissADME. The targets of these active components were collected via SwissTargetPrediction and TCMSP. Relevant targets of Hp infection were retrieved from the GeneCards and OMIM databases. The overlapping targets between the action targets of active ingredients and disease targets were screened out using the MicroBioinformatics website. The Cytoscape 3.10.2 software was used to construct a "medicinecomponent- potential target" network and the core active components were screened out. The STRING database was employed to build a protein-protein interaction (PPI) network and the core targets were screened out. The DAVID database was used for Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of intersecting targets. Molecular docking was performed to predict the affinity between active components and core targets. Results:A total of 59 active components were identified in Nanqi Qingyou Prescription, with the core components being cyclomorusin, luteolin, quercetin, and kaempferol. After intersecting the targets of the active components with disease-related targets, 269 potential therapeutic targets were obtained. The core targets were glyceraldehyde-3-phosphate dehydrogenase (GAPDH),AKT serine/threonine protein kinase 1 (AKT1) , interleukin-6 (IL-6) , tumor necrosis factor (TNF) , and epidermal growth factor receptor (EGFR). The biological processes enriched in the GO functional enrichment analysis mainly included the insulin-like growth factor receptor signaling pathway, platelet-derived growth factor receptor β signaling pathway, vascular endothelial growth factor signaling pathway, and insulin receptor signaling pathway. According to the KEGG pathway enrichment analysis results,a total of 176 signaling pathways were involved,which were closely related to the PI3K-AKT signaling pathway, HIF-1 signaling pathway, and mitogen-activated protein kinase (MAPK) signaling pathway. Molecular docking showed that the core components had good binding affinity with potential targets. Conclusion: Nanqi Qingyou Prescription may mediate the Hp infection process through active components such as cyclomorusin,luteolin,quercetin,and kaempferol,acting on targets including GAPDH,AKT1,IL-6,TNF,and EGFR. Its mechanism is associated with signaling pathways like the PI3K-Akt signaling pathway, HIF-1 signaling pathway,and MAPK signaling pathway.