KUANG Tongdong^ab , ZHOU Le^a, LI Huijuan^a, LYU Yuncheng^a

( a. Guangxi Key Laboratory of Diabetie Systems Medicine, b. Guangxi Key Laboratory of Drug Discovery andOptimization, Guilin Medical University, 

Guilin 541199, China )

Abstract Objective To analyze the active components, molecular targets, and mechanism of anti-atherosclerosis( AS) of Ziziphus jujuba by network pharmacology and molecular docking methods. Methods The active componentsof Ziziphus jujuba and their targets were identified by TCMSP database. Disease-related targets of AS were obtainedfrom GeneCards, OMIM, TTD, pharmgKB, DrugBank and DisGeNET databases. The PPI network analysis was conducted by intersecting the two sets of targets to identily the key targets. Pathway enrichment analysis wasperformed to construct a network representing the " active components-core target-signal pathway" of Ziziphus jujuba Finally, the core elfective components and their targets were verified by molecular docking. Results A total of 9 active components and 268 common pharmacological targets were identified. GO analysis yielded 2180 biologicalpathways, while KEGG analysis identified 159 signaling pathways. Among these, the AS-related pathways mainly involved PI3K/AKT, lipid and atherosclerosis, MAPK and so on. Molecular docking results demonstrated strongbinding ability of active components such as Jujuboside A, Zizyphusine and Sanjoinenine with core targets includingMAPK1,MAPK3,PIK3CA, PK3CB, and AKT1. Conclusion Ziziphus jyjuba may play a role in the treatent of AS by acting on the molecular targets, including MAPK1, MAPK3, PIK3CA, PIK3CB, and AKT1 , through activecomponents such as Jujuboside A , Zizyphusine , and Sanjoinenine. Furthermore , this regulation influences agains ASrelated pathways associated with PI3K/AKT, lipids and atherosclerosis, MAPK, and so on.

Keywords : Ziziphus jujuba ; atherosclerosis; network pharmacology; molecular docking; signaling pathways

DOI:10.19296/i.cnki.1008-2409.2024-04-007

PDF download:click to download