基于网络药理学与分子对接技术探究当归四逆汤治疗糖尿病足溃疡的作用机制OA

Objective:To investigate the mechanism of Danggui Sini Decoction(Angelica Cold Extremities Decoc-tion)in treating diabetic foot ulcer(DFU)using network pharmacology and molecular docking technology.Methods:Active components and targets of Danggui Sini Decoction were retrieved from the TCMSP database,while disease targets of DFU were obtained from the GeneCards and OMIM database.Cytoscape 3.7.1 software was used to construct a"drug-active component-target"network and a protein-protein interaction network.Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analyses were performed using the DAVID database,with re-sults visualized via the microbiolink platform.Molecular docking of key targets and active components was conducted using the CB-Dock2 platform.Results:A total of 141 active components and 247 related targets of Danggui Sini Decoction were collected,along with 2255 disease targets for DFU.There were 149 overlapping targets,among which the top five targets by degree value were Akt1(protein kinase B1),ALB(albumin),TNF(tumor necrosis factor),IL-6(interleukin-6),and IL-1β(interleukin-1 beta).GO function and KEGG pathway enrichment analysis indicate that the active components of Danggui Sini Decoction may inhibit pro-inflammatory signaling,alleviate oxidative damage,and improve local blood supply by acting on key nodes in the advanced glycation end product/receptor for advanced glycation end product(AGE/RAGE)signaling pathway and tumor necrosis factor(TNF)signaling pathway,thereby creating a favorable microenvironment for ulcer healing.Molecular docking analysis reveals that representative components(quercetin,stigmasterol,naringenin,kaempferol,and β-sitosterol)bind tightly to key targets.Conclusion:Danggui Sini Decoction treats DFU through synergis-tic effects of multiple components,targets,and pathways.This study enhances the understanding of the potential molecular mechanisms of Danggui Sini Decoction in treating DFU and provides a foundation for further experimental research.