Integrated Serum Pharmacochemistry, Network Pharmacology, and Experimental Validation to Explore the Active Components and Potential Mechanisms of Jujube Against Alcoholic Liver Disease.

Source: PubMed, NCBI / U.S. National Library of Medicine

This study aimed to systematically investigate the active components, potential targets, and molecular mechanisms of jujube against alcoholic liver disease (ALD) using an integrated approach combining serum pharmacochemistry, network pharmacology, and molecular docking, with validation through in vitro experiments. Using UPLC-Q-TOF-MS/MS, 78 chemical components were identified from jujube extract, and 24 blood-absorbed components were detected in rat serum, among which kaempferol, luteolin, and betulonic acid were identified as key active compounds. Network pharmacology analysis revealed 255 common targets, with core targets including AKT, TNF, and EGFR. KEGG enrichment analysis indicated that jujube exerts its interventive effects mainly through the PI3K-Akt signaling pathway, HIF-1 signaling pathway, and lipid and atherosclerosis, among others. Molecular docking revealed binding energies lower than -6 kcal/mol between core targets and active components, demonstrating strong affinity. In vitro experiments confirmed that jujube extract significantly upregulated the expression of AKT, supporting the findings from network pharmacology. The results suggested that jujube might exert therapeutic effects on ALD by modulating the AKT, providing a scientific basis for the development and application of jujube and laying a foundation for research on natural medicines.