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从食物中提取的生物信息学和生物活性肽:它们是否协同作用?

Bioinformatics and bioactive peptides from foods: Do they work together?

机构信息

Chair of Food Biochemistry, Faculty of Food Science, University of Warmia and Mazury in Olsztyn, Olsztyn-Kortowo, Poland.

Chair of Food Biochemistry, Faculty of Food Science, University of Warmia and Mazury in Olsztyn, Olsztyn-Kortowo, Poland.

出版信息

Adv Food Nutr Res. 2024;108:35-111. doi: 10.1016/bs.afnr.2023.09.001. Epub 2024 Feb 16.

Abstract

We live in the Big Data Era which affects many aspects of science, including research on bioactive peptides derived from foods, which during the last few decades have been a focus of interest for scientists. These two issues, i.e., the development of computer technologies and progress in the discovery of novel peptides with health-beneficial properties, are closely interrelated. This Chapter presents the example applications of bioinformatics for studying biopeptides, focusing on main aspects of peptide analysis as the starting point, including: (i) the role of peptide databases; (ii) aspects of bioactivity prediction; (iii) simulation of peptide release from proteins. Bioinformatics can also be used for predicting other features of peptides, including ADMET, QSAR, structure, and taste. To answer the question asked "bioinformatics and bioactive peptides from foods: do they work together?", currently it is almost impossible to find examples of peptide research with no bioinformatics involved. However, theoretical predictions are not equivalent to experimental work and always require critical scrutiny. The aspects of compatibility of in silico and in vitro results are also summarized herein.

摘要

我们生活在大数据时代,它影响着科学的许多方面,包括对源于食物的生物活性肽的研究,这些肽在过去几十年一直是科学家关注的焦点。这两个问题,即计算机技术的发展和具有健康有益特性的新型肽的发现的进步,是密切相关的。本章以肽分析的主要方面为起点,介绍了生物信息学在研究生物肽中的应用示例,包括:(i)肽数据库的作用;(ii)生物活性预测方面;(iii)蛋白质中肽释放的模拟。生物信息学也可用于预测其他肽的特征,包括 ADMET、QSAR、结构和味道。为了回答“生物信息学和食物中的生物活性肽:它们是否协同作用?”这个问题,目前几乎不可能找到没有生物信息学参与的肽研究的例子。然而,理论预测不等同于实验工作,总是需要严格审查。本文还总结了计算机模拟和体外实验结果的兼容性方面。

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