Discussion on the Mechanism of Qidan Decoction in the Treatment of Diabetic Nephropathy Based on Network Pharmacology and Molecular Docking
Objective To study the mechanism of Qidan Decoction in the treatment of diabetic nephropathy(DN)using network pharmacology and molecular docking technology.Methods The active components and action targets of Qidan Decoction were screened from TCMSP database,and DN targets were obtained by searching DisGeNET,DurgBank,GeneCards,OMIM and TTD databases.Venny online mapping tool was used to map the two to obtain the intersection target.Cytoscape 3.9.1 was used to draw the network diagram of Qidan Decoction-active component-intersection target-DN.The protein interaction network diagram of intersection target was obtained by STRING platform,and the core target was obtained by topology analysis in Cytoscape.GO enrichment analysis and KEGG pathway enrichment analysis were performed for the core targets based on DAVID database.Finally,AutoDuck Vina and PyMOL software were used for molecular docking verification.Results Totally 125 effective components of Qidan Decoction and 126 targets for the treatment of DN were obtained.The main pathways were cancer pathways,AGE-RAGE,TNF,IL-17 and MAPK signaling pathways.The results of molecular docking showed that the binding energies of quercetin,luteolin,stigmasterol,β-sitosterol,kaempferol,and onononetin with AKT1,TNF,IL6,VEGFA,IL1B and TP53 of the top six with the highest degree were between-9.2 and-6.2 kcal/mol,suggesting that they all had strong binding forces.Conclusion Qidan Decoction may interfere with DN through key components such as quercetin,luteolin and legosterol,acting on core targets such as AKT1,TNF and IL6,involving cancer pathway,AGE-RAGE,TNF,IL17 and MAPK signaling pathways,and plays anti-inflammatory,antioxidant and improving hemorheology roles.
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