Mechanism of Action of Milkvetch Root in Enhancing Anti-Oxidative Stress in Rabbits Based on Network Pharmacology and Molecular Docking Technology
The network pharmacology and molecular docking technology was used to explore the material basis of milkvetch root in anti-oxidative stress of rabbits and its mechanism of action.The traditional Chinese medi-cine systems pharmacology database and analysis platform(TCMSP)and other databases were used to collect milkvetch root active ingredients and related targets,and disease-related databases were used for potential tar-gets of oxidative stress.The protein-protein interaction(PPI)network was constructed,and the gene ontology(GO)function and Kyoto encyclopedia of genes and genomes(KEGG)pathway were enrichment analysis.Finally,the top 3 core targets were selected to verify the docking activity of the core targets with the corre-sponding components by molecular docking using Autodock software.The results showed that there were 20 main active components of milkvetch root in enhancing anti-oxidative stress in rabbits and 470 potential targets.Among them,kaempferol,9,10-dimethoxypterostilbene-3-O-β-D-glucoside and astraisoflavan-7-O-β-D-gluco-side were the key active components of milkvetch root to inhibit oxidative stress in rabbits.There were 69 core targets,and the targets with the top 10 degree values were albumin(ALB),epidermal growth factor receptor(EGFR),insulin(INS),cysteinyl aspartate-specific proteinase 3(CASP3),estrogen receptor 1(ESR1),proto-oncogene(JUN),proto-oncogene tyrosine-protein kinase(SRC),cyclin D2(CCND2),cyclin-de-pendent kinase 4(CDK4)and cyclin-dependent kinase 2(CDK2).The GO function and KEGG pathway en-richment analysis showed that the target effects encompassed 62 biological processes,15 cellular components and 39 molecular functions,and were involved in metabolic pathways such as cancer signaling pathway,phos-phatidylinositol 3 kinase-protein kinase B signaling pathway,viral carcinogenesis,mitogen-activated protein ki-nases signaling pathway.The molecular docking results showed that the binding energies of the core targets and the corresponding milkvetch root components were all less than 0 kJ/mol,indicating spontaneous binding of milkvetch root to core targets.In conclusion,the study screens the main components and action targets of milkvetch root to improve the anti-oxidative stress ability of rabbits,and explores its molecular regulatory mechanism,which provides a reference basis for the application of milkvetch root as an antioxidant functional feed additive.[Chinese Journal of Animal Nutrition,2024,36(5):3247-3261]
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