Abstract Objective: Considering the limited number of studies that analyze the behavior of plant preparations in human body, this study aimed to characterize the phenolic compounds from Triplaris gardneriana extract (EETg) in terms of antioxidant and metabolic aspects, integrating in vitro, in silico and in vivo strategies. Methods: EETg was analyzed in relation to polyphenols release from the plant matrix under in vitro digestion, as well as the pharmacokinetic prediction of their major compounds by in silico simulation and understanding of its in vivo antioxidant effect in an alternative animal model. Results: About 35.22% of polyphenols from EETg proved to be accessible after enzymatic hydrolysis. A kinetics study showed that 40% of the total content of these phytochemicals was released from the extract accompanied by increased antioxidant capacity after 180 min of gastrointestinal simulation. A computational approach revealed that 7 out of 9 major phenolic compounds of EETg showed good pharmacokinetic parameters such as intestinal absorption and bioavailability score. In addition, the extract showed a protective effect on copper-induced oxidative stress in Drosophila melanogaster, evidenced by the restoration of basal levels of thiol and malondialdehyde contents. These biochemical observations were supported by the examination of histological features of D. melanogaster brain. Conclusion: It was demonstrated that the oral administration of EETg would provide phenolic compounds partially absorbable by the human gut and capable of providing health benefits associated with the inhibition of oxidative stress. Additionally, the results highlight the need to implement new approaches for the rational development of plant-based medicines.

中文翻译：

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来自 Triplaris gardneriana 种子的酚类化合物在氧化应激管理中的代谢方面

摘要 目的：考虑到分析植物制剂在人体中的行为的研究数量有限，本研究旨在从抗氧化和代谢方面表征三叶草提取物 (EETg) 中的酚类化合物，整合体外、计算机和体内策略。方法：分析了 EETg 与体外消化下植物基质中多酚释放的关系，以及通过计算机模拟和了解其在替代动物模型中的体内抗氧化作用来预测其主要化合物的药代动力学。结果：EETg 中约 35.22% 的多酚被证明在酶促水解后是可获取的。一项动力学研究表明，这些植物化学物质总含量的 40% 从提取物中释放出来，同时在胃肠模拟 180 分钟后抗氧化能力增加。计算方法表明，EETg 的 9 种主要酚类化合物中有 7 种显示出良好的药代动力学参数，如肠道吸收和生物利用度评分。此外，该提取物对黑腹果蝇中铜诱导的氧化应激显示出保护作用，这可以通过硫醇和丙二醛含量的基础水平恢复来证明。这些生化观察得到了黑腹果蝇大脑组织学特征检查的支持。结论：经证明，口服 EETg 将提供可被人体肠道部分吸收的酚类化合物，并能够提供与抑制氧化应激相关的健康益处。此外，结果强调需要实施新方法以合理开发植物性药物。