Dahuang–Mudan decoction (DMD) is a formula that has been widely used as a complementary treatment for inflammatory bowel disease (IBD). However, the mechanism of action of DMD in IBD has not been clearly elucidated. Therefore, we developed a metabolomics‐based method to evaluate the effects and potential mechanisms of DMD in a 2,4,6‐trinitobenzene sulfonic acid (TNBS)‐induced colitis model. The ultra‐high‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry (UPLC/QTOF–MS) method combined with multiple analysis approaches including principal component analysis, partial least square discriminant analysis and orthogonal partial least square discriminant analysis were used to investigate the different urinary metabolites. We identified 29 potential biomarkers of TNBS‐induced colitis that returned to normal conditions after DMD administration. Pathway analysis indicated that changes in these metabolites were associated with cysteine and methionine metabolism, citric acid cycle, glycolysis and glycolic regeneration, pyruvate metabolism, biosynthesis of valine, leucine and isoleucine, biosynthesis of primary bile acids, glycine, serine and threonine metabolism, caffeine metabolism, arginine and proline metabolism and phenylalanine metabolism. It is worth noting that DMD has potential therapeutic effects on TNBS‐induced colitis, which functions by restoring the balance of multiple disturbed pathways to a normal condition. This study suggests the reliability of metabolomics‐based approaches to identifying biomarkers and pathways, which facilitate further investigation of the potential mechanisms of DMD.

中文翻译：

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使用基于UPLC–QTOF / MS的代谢组学分析评估大黄木丹汤对TNBS诱发的结肠炎的作用

大黄木丹汤（DMD）是一种配方，已广泛用作炎症性肠病（IBD）的辅助治疗。然而，尚未清楚阐明DMD在IBD中的作用机制。因此，我们开发了一种基于代谢组学的方法来评估DMD在2,4,6-三苯甲基磺酸（TNBS）诱发的结肠炎模型中的作用和潜在机制。超高效液相色谱/四极杆飞行时间质谱（UPLC / QTOF–MS）方法与多种分析方法相结合，包括主成分分析，偏最小二乘判别分析和正交偏最小二乘判别分析研究不同的尿代谢产物。我们确定了29种TNBS诱发的结肠炎的潜在生物标记物，这些标记物在DMD给药后恢复了正常状态。通路分析表明，这些代谢物的变化与半胱氨酸和蛋氨酸的代谢，柠檬酸循环，糖酵解和乙醇的再生，丙酮酸的代谢，缬氨酸，亮氨酸和异亮氨酸的生物合成，初级胆汁酸的生物合成，甘氨酸，丝氨酸和苏氨酸的代谢，咖啡因有关。代谢，精氨酸和脯氨酸代谢以及苯丙氨酸代谢。值得注意的是，DMD对TNBS诱发的结肠炎具有潜在的治疗作用，该作用可通过将多种干扰途径的平衡恢复到正常状态而发挥作用。这项研究表明，基于代谢组学的方法可以识别生物标志物和途径，