DataSheet_1_Integrated Plasma and Bile Metabolomics Based on an UHPLC-Q/TOF-MS and Network Pharmacology Approach to Explore the Potential Mechanism of Schisandra chinensis-Protection From Acute Alcoholic Liver Injury.pdf

Schisandra chinensis (SC) is a well-known important traditional Chinese medicine (TCM) that has been used to treat liver disease in China for a long time. However, its overall effects and mechanism of action are unclear. The present study aimed to explore the potential mechanism of SC in protection against alcoholic liver injury (ALI). In this research, to enable a full assessment of metabolic changes in ALI in Sprague-Dawley rats and to increase our understanding of physiological changes in normal and pathological states, ultra-high performance liquid chromatography combined with quadrupole time of flight mass spectrometry (UHPLC-Q/TOF-MS) was used to probe potential biomarkers to learn more about ALI and to evaluate the overall effect of SC for ALI in rats. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were used to investigate global metabolomic alterations and to evaluate the therapeutic effects of SC in rats. The component–target–pathway network of SC was then constructed on the basis of the network pharmacology, and the liver injury-relevant signaling pathways were thus dissected and validated. The results showed that SC has conspicuous therapeutic efficacy for ALI, as suggested by the results of the pathological section and biochemical index assays, such as those for Alanine aminotransferase (ALT), Aspartate transaminase (AST), Alkaline phosphatase (AKP), γ-glutamyl transferase (γ-GT/GGT), Reactive oxygen species (ROS), and Malondialdehyde (MDA). Furthermore, 21 kinds of potential biomarkers were identified in plasma samples of ALI rats, and 20 kinds of potential biomarkers were identified in their bile samples. The biomarkers were mainly related to inflammation and dysfunctions of amino acids and energy metabolism. The recovery of these dysfunctions partly led to the curative effect of SC on ALI.

五味子（Schisandra chinensis，简称SC）作为一种广为人知且具有重要价值的中药材，在我国历史上被广泛应用于治疗肝病。然而，其整体疗效及作用机制尚不明确。本研究旨在探究SC在抵御酒精性肝病（ALI）方面的潜在作用机制。在研究中，为了全面评估Sprague-Dawley大鼠在ALI过程中的代谢变化，并加深我们对正常及病理状态下生理变化的了解，采用了超高效液相色谱联用四极杆飞行时间质谱（UHPLC-Q/TOF-MS）技术，以探查潜在生物标志物，深入了解ALI，并评估SC对大鼠ALI的整体疗效。本研究采用主成分分析（PCA）和正交偏最小二乘判别分析（OPLS-DA）方法，对全局代谢组学变化进行探究，并评估SC在治疗大鼠ALI中的治疗效果。基于网络药理学，构建了SC的成分-靶点-通路网络，从而对与肝脏损伤相关的信号通路进行解析和验证。研究结果显示，SC在治疗ALI方面展现出显著的疗效，这一结论由病理切片和生化指标检测（如丙氨酸氨基转移酶（ALT）、天冬氨酸氨基转移酶（AST）、碱性磷酸酶（AKP）、γ-谷氨酰转移酶（γ-GT/GGT）、活性氧（ROS）和丙二醛（MDA）等）的结果所支持。此外，在ALI大鼠的血浆样本中鉴定出21种潜在生物标志物，在胆汁样本中鉴定出20种潜在生物标志物。这些生物标志物主要与炎症、氨基酸代谢和能量代谢的失调相关。这些失调功能的恢复部分解释了SC对ALI的治疗效果。