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Network pharmacological prediction and molecular docking verification of the mechanism of Yueju Pills in the treatment of dyslipidemia#br# |
CHANG Yan1,2 LIN Jianguo1 YAO Kuiwu1 |
1.Department of Cardiovascular Diseases, Guang’anmen Hospital, China Academy of Chinese Medical Sciences, Beijing 100053, China;
2.Graduate School, Beijing University of Chinese Medicine, Beijing 100029, China |
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Abstract Objective To analyze the mechanism of Yueju Pills in the treatment of dyslipidemia by network pharmacology and molecular docking. Methods The active components of Yueju Pills were searched by traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) and pertinent literatures, and their target genes were collected, the related gene targets of dyslipidemia were searched and screened by GeneCards, DrugBank and OMIM databases. Cytoscape 3.8.2 software was used to draw the network diagram of “active component-affect target” of Yueju Pills, and protein-protein interaction (PPI) network diagram was draw by STRING platform. The gene ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways enrichment analysis of the drug-disease intersection targets were performed by Metascape database, and molecular docking was carried out by Autodock Vina. Results A total of 56 active components of Yueju Pills were collected, 113 drug-disease intersection targets were obtained, GO and KEGG enrichment analysis results showed that drug-disease intersection targets mainly enriched in cellular response to lipid, cellular response to hormones stimulus, cellular response to lipopolysaccharide and other biological processes, and mainly enriched in AGE-RAGE, TNF, PPAR, insulin, and other related signaling pathways. The results of molecular docking showed that the main active components of Yueju Pills in the treatment of dyslipidemia had strong affinity with the core targets. Conclusion Yueju Pills can correct body lipid metabolism disorder by reducing oxidative damage, promoting lipidemia metabolism, improving liver function, thus playing a role in dyslipidemia, which provides pharmacological basis for future clinical application and research.
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