BACKGROUND α-mangostin, a typical xanthone, often exists in Garcinia mangostana L. (Clusiaceae). α-mangostin was found to have a wide range of pharmacological properties. However, its specific metabolic route in vivo remains unclear, while these metabolites may accumulate to exert pharmacological effects, too. OBJECTIVE This study aimed to clarify the metabolic pathways of α-mangostin after oral administration to the rats. METHODS Here, an UHPLC-Q-Exactive Orbitrap MS was used for the detection of potential metabolites formed in vivo. A new strategy for the identification of unknown metabolites based on typical fragmentation routes was implemented. RESULTS A total of 42 metabolites were detected, and their structures were tentatively identified in this study. The results showed that major in vivo metabolic pathways of α-mangostin in rats included methylation, demethylation, methoxylation, hydrogenation, dehydrogenation, hydroxylation, dehydroxylation, glucuronidation, and sulfation. CONCLUSIONS This study is significant to expand our knowledge of the in vivo metabolism of α-mangostin and to understand the mechanism of action of α-mangostin in rats in vivo.

中文翻译：

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通过 UHPLC-Q-exactive Orbitrap MS 表征 SD 大鼠生物样品中的 α-山竹素代谢物。

背景技术 α-山竹素是一种典型的黄酮类化合物，常存在于藤黄果(Garcinia mangostana L.)中。发现α-山竹素具有广泛的药理特性。然而，其在体内的具体代谢途径仍不清楚，而这些代谢物也可能积累发挥药理作用。目的本研究旨在阐明大鼠口服α-山竹素后的代谢途径。方法 在此，UHPLC-Q-Exactive Orbitrap MS 用于检测体内形成的潜在代谢物。实施了一种基于典型碎片途径鉴定未知代谢物的新策略。结果本研究共检测到42种代谢物，并初步确定了它们的结构。结果表明，α-山竹素在大鼠体内的主要代谢途径包括甲基化、去甲基化、甲氧基化、氢化、脱氢、羟基化、脱羟基、葡萄糖醛酸化和硫酸化。结论本研究对扩大我们对α-山竹素体内代谢的认识，了解α-山竹素在大鼠体内的作用机制具有重要意义。