Exploring the Therapeutic Potential and Mechanisms of Zizyphus jujuba Miller in Chronic Pancreatitis: A Network Pharmacology and Molecular Docking Approach

Objectives: This study employed a network pharmacology approach to explore the potential therapeutic effects and underlying molecular mechanisms of Zizyphus jujuba Miller var. inermis Rehder (Jujube) in the treatment of chronic pancreatitis (CP).Methods: The bioactive compounds of Jujube and their target genes were identified from the HERB, OASIS databases. These putative target genes were then cross-referenced with CP-associated genes to identify potential correlations. A network was subsequently constructed using Cytoscape 3.10.2. To further investigate, functional enrichment analyses were conducted using Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway databases. Additionally, binding affinities between active compounds and key genes were assessed by CB-DOCK2.Results: 55 active compounds and 344 associated target genes were identified from Jujube. Among these, 156 genes overlapped with the CP gene set. After screening, 9 key genes were identified from this subset, further emphasizing the significant relationship between the Jujube and CP. GO and KEGG analyses revealed that the 'PI3K-Akt Signaling Pathway' is a significant pathway mediated by 9 key genes in the context of CP. Furthermore, molecular docking analysis confirmed the strong binding affinities between the active compounds and key genes.Conclusions: Through the application of a network pharmacology approach, complemented by molecular docking studies, this research highlights a strong pharmacological relevance of Jujube in CP. These findings provide a valuable foundation for future investigations into the therapeutic potential of Jujube in mitigating CP, possibly through the modulation of the PI3K/Akt signaling pathway.