Mechanism of Sanhuang Zhenzhu Paste in treatment of diabetic foot ulcer based on network pharmacology and molecular docking
Objective To investigate the main active ingredients and potential mechanism of Sanhuang Zhenzhu Paste in treatment of diabetic foot ulcer by network pharmacology and molecular docking technology.Methods The main active ingredients and targets of Sanhuang Zhenzhu Paste were screened based on the BATMAN-TCM database,the diabetic foot ulcer related targets were found from GeneCards,OMIM,and TTD databases,the core targets were screened using the PPI network constructed by STRING 12.0 database.The"drug-active ingredient-target-disease"network diagram was prepared in Cytoscape 3.7.1 software to screen the core active ingredients.The gene GO function and KEGG pathway enrichment analysis were conducted using R language software.Finally,molecular docking was applied to preliminary verification of the screening results.Result 12 Main active components of Sanhuang Zhenzhu Paste were screened to map 315 targets.Through topological analysis,it was concluded that the main active ingredients such as musketone,allanosin,moricin,and dihydroisotanshinone Ⅰ in treatment of diabetic foot ulcer may be closely related to proteins such as Akt1,ACTB,GAPDH,TNF,and TP53.And it plays a major role through signal pathways such as MAPK signaling pathway,PI3K/Akt signaling pathway,AGE-RAGE and other signaling pathways.Molecular docking shows that the main active components have good stability with key targets.Conclusion Sanhuang Zhenzhu Paste may play a therapeutic role in diabetic foot ulcer by regulating apoptosis and proliferation,mediating inflammatory response and immune regulation.It provides a theoretical basis for the clinical application of Sanhuang Zhenzhu Paste and the treatment of diabetic foot ulcer.
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