Investigation on the function mechanism of oleanolic acid in the treatment of non-alcoholic fatty liver disease based on network pharmacology and molecular docking technology
Objective To investigate the function mechanism of oleanolic acid(OA)in the treatment of non-alcoholic fatty liver disease(NAFLD)based on network pharmacology and molecular docking.Methods Potential targets of OA(retrieval deadline until November 10,2023)were collected by using traditional Chinese medicines systems pharmacology platform(TCMSP),SwissTargetPrediction database and literature research.The related targets of NAFLD(retrieval deadline until November 10,2023)were collected by using GeneCards and OMIM database,and cross-matched with OA targets,so as to obtain the potential targets of OA in the treatment of NAFLD.Protein-protein interaction(PPI)network was constructed to screen core targets.Then,GO and KEGG enrichment analysis was carried out to further construct the"component-target-key pathway"network.Molecular docking technology was used to verify the interaction between OA and core targets,so as to verify the accuracy of the prediction results of network pharmacology.Results A total of 94 OA targets and 2816 NAFLD targets were obtained through literature and database retrieval,and 63 potential targets for OA treatment of NAFLD were obtained through intersection.It was found in PPI network analysis that PPARG,PPARA,PTGS2,ESR 1 and HMGCR might be the core targets of OA in the treatment of NAFLD.It was shown in KEGG results that the potential targets were mainly concentrated in PPAR signaling pathway.Further molecular docking results showed that the binding energy of OA to the above-mentioned core targets was＜-7 kcal/mol,and it had high binding performance,which was consistent with the network pharmacological prediction results.Conclusion OA may be a candidate drug for the treatment of NAFLD,and it may achieve the function in the treatment of NAFLD by regulating multiple targets.This study provides reference for the pharmacological research and clinical application of OA in the treatment of NAFLD.
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维普
