基于网络药理学和分子对接探讨腺扁方治疗腺样体肥大的作用机制OA

Objective:To investigate the mechanism of action of Xianbian Fang(腺扁方)in the treatment of adenoid hypertrophy(AH)based on network pharmacology and molecular docking,and to provide a theoretical basis for its clinical application.Methods:The active components of the drugs in the Xianbian Fang were retrieved from the TCMSP database,and the target genes were obtained from the UniProt database.The disease targets of AH were collected from the GeneCards and OMIM databases.A Venn diagram was drawn to screen the intersecting targets of drug components and diseases,thereby obtaining the potential action targets of the Xianbian Fang in the treatment of AH.The"drug-active component-target"map was established using Cytoscape 3.10.3 software to predict the potential core targets.The protein-protein interaction(PPI)network was constructed based on the STRING database.The DAVID database was used to perform GO functional enrichment analysis and KEGG pathway enrichment analysis on the intersecting targets.Finally,AutoDockTools 15.7 software was used to conduct molecular docking verification of the core targets and main components in combination with the PPI network,GO enrichment analysis,and KEGG enrichment analysis.Results:A total of 174 active components of the Xianbian Fang were screened out,960 potential drug targets were obtained,656 targets related to AH were collected,and 191 intersecting targets between drugs and diseases were identified.The GO enrichment analysis results involved 4 602 biological processes,and 263 pathways related to AH were obtained from the KEGG enrichment analysis.The molecular docking results indicated that the main core targets had binding sites with the main core components of the Xianbian Fang,and the binding energies were all less than-17.78 kJ/mol,indicating stable binding.Conclusion:Xianbian Fang can preliminarily exert its therapeutic effects on AH through multiple components,multiple targets,and multiple pathways.It can play a role in the treatment of AH by promoting anti-inflammatory,anti-cancer,anti-apoptotic,and immunopotentiating biological processes in the body.This provides a reference basis for the clinical use of the Xianbian Fang in the treatment of AH and lays a foundation for further research on its pharmacological mechanism of action.