Exploration on the Mechanism of Dabuyuan Decoction for the Treatment of Chronic Fatigue Syndrome Based on Network Pharmacology and Molecular Docking
Objective To analyze the mechanism of Dabuyuan Decoction in the treatment of chronic fatigue syndrome(CFS)using network pharmacology and molecular docking;To provide a basis for new uses of the classical ancient prescriptions and famous prescriptions.Methods The chemical components of Dabuyuan Decoction and its related targets of action were retrieved using TCMSP,and protein targets were standardized through UniProt database.CFS related targets were obtained through GeneCards,OMIM,PharmGKB,and DrugBank databases.The obtained targets of action of Dabuyuan Decoction were taken to intersect with the disease targets of CFS and imported into the STRING databases for analysis.Protein interaction(PPI)network was constructed using Cytoscape 3.10.1 software,and GO and KEGG pathway enrichment analysis was performed using Metascape databases,and the analysis results were visualized using the Microbiotics platform.After molecular docking of the core targets with relevant active components,the molecular docking patterns were mapped using PyMOL 2.5.4 software.Results A total of 204 active components and 312 potential targets of action were retrieved from Dabuyuan Decoction,with the main active components including quercetin,kaempferol,β-sitosterol,and stigmasterol.Among them,there were 161 targets related to CFS,with AKT1,TNF,IL6,IL1β,and ALB as the core targets.The GO function enrichment results mainly involved cellular responses to nitrogen compounds,lipopolysaccharides,xenobiotic stimuli,etc.;KEGG pathway enrichment analysis mainly involved signaling pathways such as AGE-RAGE,chemical carcinogenesis-receptor activation,endocrine resistance,and HIF-1.The molecular docking results showed that the core targets and the core active components docking activity was strong.Conclusion Dabuyuan Decoction can exert therapeutic effects on CFS through core targets such as AKT1,TNF,IL6 and activation of HIF-1 signaling pathway,calcium signaling pathway and AGE-RAGE signaling pathway.
万方数据
维普
