Preliminary Prediction of Potential Hepatoprotective Properties of Jujube Extract in Rats Using Metabolomics and Bioinformatics

利用代谢组学和生物信息学初步预测枣提取物对大鼠肝脏的潜在保护作用

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Abstract

An integrated approach combining metabolomics, network pharmacology, and molecular docking was employed to systematically explore the serum-absorbed components of jujube, their potential targets, and regulatory pathways. UPLC-MS/MS was used to characterize the absorbed components, while network pharmacology was applied to predict potential targets associated with alcoholic liver disease (ALD). A total of 10 absorbed components and 323 common targets were identified. Among the key components, quercetin, (-)-epigallocatechin, and methyl gallate exhibited strong binding affinities to eight core targets, including AKT serine/threonine kinase 1 (AKT1) and mitogen-activated protein kinase 1 (MAPK1), with quercetin showing the highest content. Jujube intervention significantly altered the serum metabolic profiles of healthy rats, with distinct differences observed between the control and jujube-treated groups. Bioinformatics analysis revealed that the differential metabolites were mainly enriched in the diterpenoid biosynthesis pathway. These findings provide a systematic and preliminary characterization of the serum-absorbed components of jujube, their potential ALD-related targets, and their regulatory effects on serum metabolism in healthy rats. This study provides a preliminary theoretical reference and direction for further research on the potential role of jujube in ALD.

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