基于网络药理学及分子对接技术分析芪参颗粒改善心肌肥厚的作用机制OA

Objective To analyze the potential mechanism of Qishen Granules(Patent No.:CN201410195657.8)in ameliorating myocardial hypertrophy(MH)through multi-level interventions of"invigorating qi and activating blood,resolving stasis and removing toxins"based on network pharmacology and molecular docking validation.Methods The active components of Qishen Granules were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Target names were standardized using the UniProt database,and core components were identified based on degree values.MH-related disease targets were obtained by integrating the GeneCards,OMIM,and DisGeNet databases.Intersection targets were identified using Venny 2.1.0,and a protein-protein interaction(PPI)network was constructed using STRING.Topological analysis of core targets was performed using Cytoscape 3.10.1.Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were conducted using DAVID.Molecular docking was performed to validate the binding affinities between core active components and targets.Results A total of 197 active components of Qishen Granules associated with MH were identified,exerting effects through 436 intersecting targets and regulating pathways such as the PI3K-Akt signaling pathway,calcium signaling pathway,MAPK signaling pathway,TNF signaling pathway,and IL-17 signaling pathway.Molecular docking results indicated that the main active components of Qishen Granules,including quercetin,triterpenoids,and benzoylnapelline,exhibited strong binding affinities with core targets such as TNF,IL-6,TP53,BCL2,and CASP3.Conclusion Qishen Granules may synergistically regulate targets such as TNF and IL-6 to inhibit inflammatory responses and intervene in apoptosis via targets including TP53,BCL2,and CASP3 through its active components like quercetin and triterpenoids,thereby ameliorating myocardial hypertrophy.