An integrated metabolomics and network pharmacology approach to reveal the antioxidant components and mechanisms of wild jujube (Ziziphus jujuba var. spinosa) fruits across China

Wild jujube serves as an important source of natural antioxidants and holds significant economic value in the food and health industries. However, the core antioxidant components in its fruits and their mechanisms of action remain unclear, and the substantial variation in metabolite composition across different provenances severely hinders the development of functional wild jujube products. In this study, untargeted metabolomics combined with network pharmacology was employed to screen 87 potentially active components from the metabolic profile of wild jujube and to identify 41 core antioxidant targets. Among these, seven targets—TP53, AKT1, SRC, STAT3, JUN, EP300, and ESR1—were strongly correlated with antioxidant activity. On the basis of topological and Pearson correlation analyses, 26 key antioxidant compounds were screened from the metabolic profile of wild jujube. Finally, molecular docking revealed the most stable binding pairs: cymarin–ESR1 (−11.3 kcal/mol), procyanidin B1–SRC (−10.8 kcal/mol), and isolicoflavonol A–JUN (−9.9 kcal/mol). This study systematically elucidates the metabolic characteristics of wild jujube from different provenances, provides an in-depth investigation of its antioxidant active ingredients and their mechanisms of action, reveals the physiological functions of wild jujube, and establishes a theoretical foundation for the extraction of its bioactive compounds and the development of functional health foods. • Wild jujube pulp demonstrated high antioxidant activity. • 2895 metabolites were identified in pulp samples from six provinces, including 87 potential active compounds. • Seven core targets (TP53, AKT1, SRC, STAT3, JUN, EP300, and ESR1) highly associated with antioxidant effects were identified through network pharmacology. • The most favorable binding affinities occurred in cymarin-ESR1, procyanidin B1-SRC, and Licoisoflavone A-JUN complexes.