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ToxDP2 数据库:膳食多酚的毒性预测。

ToxDP2 Database: Toxicity prediction of dietary polyphenols.

机构信息

Computational Toxicology Facility, CSIR-Indian Institute of Toxicology Research, Vishvigyan Bhavan, 31, Mahatma Gandhi Marg, Lucknow 226001, Uttar Pradesh, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, Uttar Pradesh, India.

Computational Toxicology Facility, CSIR-Indian Institute of Toxicology Research, Vishvigyan Bhavan, 31, Mahatma Gandhi Marg, Lucknow 226001, Uttar Pradesh, India.

出版信息

Food Chem. 2022 Feb 15;370:131350. doi: 10.1016/j.foodchem.2021.131350. Epub 2021 Oct 7.

Abstract

Polyphenols are bioactive substances that minimize the risk of a variety of chronic diseases. Exposure to polyphenol bioactive compounds in our diet has increased across the globe, with amplified expectations from consumers, industry, and regulators centered on the potential benefits and essential safety of these compounds. Several data resources for beneficial properties of dietary polyphenols are present; however, toxicological information remains partial. We present a dynamic web-based database to assess dietary polyphenols' safety and fulfill the toxicity data gaps in the domain of food safety. The database (ToxDP2) comprises 415 dietary polyphenolic compounds, distributed into 15 subclasses with 25,792 collected and predicted data points. This web server facilitates the exploration of polyphenols for divergent applications. The data-driven approach on the ToxDP2 provides researchers with an understanding of polyphenols structure-function-toxicity relationships beneficial for developing nutraceuticals, pharmaceuticals, herbal supplements, and formulations.

摘要

多酚是具有生物活性的物质,可以降低多种慢性疾病的风险。在全球范围内,人们饮食中多酚类生物活性化合物的摄入量有所增加,消费者、行业和监管机构都期望这些化合物具有潜在的益处和基本的安全性。目前有一些关于膳食多酚有益特性的数据资源,但毒理学信息仍然不完整。我们提供了一个动态的基于网络的数据库,用于评估膳食多酚的安全性,并填补食品安全领域毒理学数据的空白。该数据库(ToxDP2)包含 415 种膳食多酚化合物,分为 15 个亚类,共收集和预测了 25792 个数据点。这个网络服务器方便了对不同应用领域多酚的探索。ToxDP2 上的数据驱动方法使研究人员能够了解多酚的结构-功能-毒性关系,这对于开发营养保健品、药物、草药补充剂和配方非常有益。

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