Exploring The Lipid-lowering Effect Of Tofu Chai Based On Network Pharmacology And Molecular Docking Technolog

Premna microphylla turcz is a kind of plant belonging to the genus Premna microphylla turcz of Verbenaceae,which is a dual-use plant for medicine and food in China.It has high nutritional value,rich medicinal ingredients and important edible and medicinal value.It is also a high-quality natural raw material source in industrial and animal feed.In this study,the chemical components of the water extract of Premna microphylla turcz were identified by UPLC-Q-Orbitrap HRMS,and the antihyperlipidemic effect and mechanism of Premna microphylla turcz leaves leaf were preliminarily studied by network pharmacology and molecular docking research methods.The main contents and results are as follows:(1)Through UPLC-Q-Orbitrap HRMS technology,the components of the water extract of Premna microphylla turcz were identified,and finally 32 compounds including 8fatty acid compounds,6 phenolic acid compounds and 8 flavonoids were identified.(2)According to the literature,130 compounds related to the leaves of Premna microphylla turcz leaves were summarized and sorted out,and a total of 20 eligible active ingredients were selected,mainly including Asperglaucide,Pinocembrin,Rhamnazin,etc;386 action targets of the active ingredients in the leaves of Premna microphylla turcz leaves were predicted,and a total of 2146 disease targets of hyperlipidemia were screened,and 133 potential targets of anti-hyperlipidemia of Premna microphylla turcz leaves were obtained by intersection with the action targets of the active ingredients in the leaves of Tofu Chai,including TNF,AKT1,TP53,VEGFA,EGFR,etc;GO enrichment results included 399 items of biological processes,37 items of cell localization,106 items of molecular functions,and 113 signaling pathways were involved in KEGG pathway enrichment analysis.The active ingredient-target protein network diagram,PPI network diagram,GO and KEGG enrichment analysis diagram,and active ingredient-target-pathway network diagram were constructed,so as to explore the anti-hyperlipidemia effect of Premna microphylla turcz leaves.(3)Appropriate active ingredients and target proteins were screened out according to network pharmacology,and the results of network pharmacology were verified theoretically by molecular docking.Three active components of Asperglaucide,Pinocembrin and Rhamnazin were screened for molecular linkage with target proteins TNF,AKT1,TP53,EGFR and VEGFA.The results showed that the main active components of Asperglaucide,Pinocembrin and Rhamnazin had good binding activity with key targets such as TNF,AKT1,TP53,EGFR and VEGFA,and their binding energies were all lower than-5kcal/mol.The binding energy between Asperglaucide and EGFR was the lowest(-7.28121805kcal/mol),showing strong binding activity between the two.These results indicated that the active components of Premna microphylla turcz leaves could relieve hyperlipidemia by affecting the target.