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预测白藜芦醇的I期代谢:一项计算机模拟研究。

Predicting phase-I metabolism of piceatannol: an in silico study.

作者信息

Rajan Ravi Kumar, Engels Maida, Ramanathan Muthiah

机构信息

Department of Pharmacology, School of Pharmaceutical Sciences, Girijananda Chowdhury University, Tezpur Campus, Tezpur, Assam India.

Present Address: Department of Pharmacology, Himalayan Pharmacy Institute, Majitar, East Sikkim 737136 India.

出版信息

In Silico Pharmacol. 2024 Jun 5;12(1):52. doi: 10.1007/s40203-024-00228-x. eCollection 2024.

Abstract

Piceatannol is a natural compound found in plants and can be derived from resveratrol. While resveratrol has been extensively researched for its effects and how the body processes it, there are concerns about its use. These concerns include its limited absorption in the body, the need for specific dosages, potential interactions with other drugs, lack of standardization, and limited clinical evidence to support its benefits. Interestingly, Piceatannol, another compound derived from resveratrol, has received less attention from researchers but appears to offer advantages. It has better bioavailability and seems to have a more favorable therapeutic profile compared to resveratrol. Surprisingly, no previous attempts have been made to explore or predict the metabolites of piceatannol when it interacts with the enzyme cytochrome P450. This study aims to fill that gap by predicting how piceatannol is metabolized by cytochrome P450 and assessing any potential toxicity associated with its metabolites. This research is interesting because it's the first of its kind to investigate the metabolic fate of piceatannol, especially in the context of cytochrome P450. The findings have the potential to significantly contribute to the field of piceatannol research, particularly in the food industry where this compound has applications and implications.

摘要

白藜芦醇是一种存在于植物中的天然化合物,可从白藜芦醇衍生而来。虽然白藜芦醇因其作用及人体对其的处理方式已得到广泛研究,但对其使用仍存在担忧。这些担忧包括其在体内的吸收有限、需要特定剂量、与其他药物的潜在相互作用、缺乏标准化以及支持其益处的临床证据有限。有趣的是,另一种从白藜芦醇衍生而来的化合物白藜芦醇没食子酸酯受到的研究关注较少,但似乎具有优势。与白藜芦醇相比,它具有更好的生物利用度,并且似乎具有更有利的治疗特性。令人惊讶的是,以前没有尝试过探索或预测白藜芦醇没食子酸酯与细胞色素P450酶相互作用时的代谢产物。本研究旨在通过预测白藜芦醇没食子酸酯如何被细胞色素P450代谢以及评估与其代谢产物相关的任何潜在毒性来填补这一空白。这项研究很有趣,因为它是同类研究中首个调查白藜芦醇没食子酸酯代谢命运的研究,尤其是在细胞色素P450的背景下。这些发现有可能对白藜芦醇没食子酸酯研究领域做出重大贡献,特别是在该化合物有应用和影响的食品工业领域。

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