基于网络药理学和分子对接探讨增视明目方治疗近视的作用机制OA

Objective:To analyze and explore the mechanism by which Zengshi Mingmu Fang(增视明目方)regulates the progression of myopia by means of network pharmacology and molecular docking.Methods:Active compounds and their putative targets of Zengshi Mingmu Fang were retrieved from TCMSP.Myopia-related genes were collected from the GeneCards,OMIM.Overlapping targets between the Zengshi Mingmu Fang and the disease were identified with Venny 2.1.0.A protein-protein interaction network was constructed via STRING to screen potential hub targets.Molecular docking was performed with AutoDock Vina and visualized in PyMOL.Gene ontology(GO)functional annotation and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment were conducted for the hub targets.Finally,the herb-compound-target-disease network was plotted with Cytoscape 3.10.2 and its plug-ins.Results:A total of 130 bioactive ingredients and 976 putative targets related to the Zengshi Mingmu Fang,together with 5 901 genes associated with myopia,were retrieved.Subsequent analysis identified 468 potential therapeutic targets of Zengshi Mingmu Fang against myopia.The core active components were kaempferol,quercetin,isorhamnetin and gardenin.A total of 89 hub targets(including AKT1,TP53,TNF,IL-6 and ALB)were screened,mainly involved in apoptosis regulation and the PI3K-Akt signaling pathway.Molecular-docking assays showed binding energies below-20.92 kJ/mol for all core pairs,indicating stable binding affinity.Conclusion:Zengshi Mingmu Fang may synergistically intervene in myopia through multiple components,multiple targets and multiple pathways,providing a theoretical basis for further drug development.