Mechanism of Scutellaria baicalensis in treatment of diabetes based on network pharmacology and molecular docking
Objective To discuss the mechanism of Scutellaria baicalensis in treatment of diabetes based on network pharmacology and molecular docking.Methods The main biological active components and business objectives of the S.baicalensis group come from the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)database,and diabetes disease-related disease objectives come from databases such as GeneCards,OMIM,TTD,and PharmGkb.To get a common purpose,a Venn diagram was built between diabetes and S.baicalensis.Using the STRING database to generate a protein plot(PPI)of S.baicalensis treating diabetes and to derive a central target using Cytoscape 3.9.1 software,a disease-drugs-effective-components-target-points network diagram can be created.Using Bioconductor database and R 4.3.2 software to jointly analyse gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)multi-target points of S.baicalensis and diabetes and finally to verify the relationship between drugs and disease target using molecular docking technique.Results After screening,36 main active components of S.baicalensis were obtained,including 19 201 disease targets and 96 drug targets,with a total of 94 targets.The main targets were mainly proteins such as Akt1,IL-6,JUN,PTGS2,and ESR1.The GO enrichment analysis identified a total of 1 368 biological processes,165 molecular functions,and 29 cellular components.Additionally,150 pathways were highlighted in the enrichment analysis.The molecular binding results indicate that key active components of S.baicalensis,such as wogonin,baicalein,and stigmasterol,exhibit significant protective effects on central targets Akt1,IL-6,and JUN.Conclusion S.baicalensis may regulate Akt1,IL-6,JUN and other targets through main active components of wogonin,baicalein and stigmasterol,so as to achieve the purpose of treating diabetes.This study sheds light on the potential mechanism of S.baicalensis in treating diabetes,offering a theoretical framework for future clinical management and prevention of the disease.
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