Screening of antioxidant peptides from soy protein isolate: In vitro activity validation and structure-activity relationships investigation through quantum chemical calculations

IF 8.5 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2025-05-02 DOI:10.1016/j.foodchem.2025.144616

Zhiyi Chen, Yuting Xia, Guizhao Liang

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引用次数: 0

Abstract

Soy protein isolate (SPI) holds significant potential for providing antioxidant peptides. In this study, we optimized the hydrolysis conditions to obtain SPI hydrolysates with high antioxidant activity. Subsequently, we isolated, identified and screened three antioxidant peptides through ultrafiltration, liquid chromatography-tandem mass spectrometry and bioinformatics methods, respectively. Among them, DHHDPIMPYL demonstrated higher antioxidant activity. Quantum chemical analysis further revealed the key antioxidant activity sites as N1-H2 for SPDIFNPQ, N1-H2 for SSPDIFNPQ, and O145-H146, N48, and S107 for DHHDPIMPYL. Additionally, these antioxidant peptides maintained cellular redox balance by clearing reactive oxygen species (ROS), increasing the ratio of reduced glutathione (GSH) to oxidized glutathione (GSSG), and activating glutathione peroxidase (GSH-Px) activity. Our results highlight the value of quantum chemistry methods in elucidating the antioxidant mechanisms of peptides and support the potential application of SPI-derived peptides as promising antioxidants in the food industry.

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大豆分离蛋白抗氧化肽的筛选：体外活性验证及量子化学构效关系研究

大豆分离蛋白（SPI）具有提供抗氧化肽的巨大潜力。在本研究中，我们优化了水解条件，以获得具有高抗氧化活性的SPI水解物。随后，我们分别通过超滤、液相色谱-串联质谱和生物信息学方法分离、鉴定和筛选了三种抗氧化肽。其中，DHHDPIMPYL表现出较高的抗氧化活性。量子化学分析进一步发现SPDIFNPQ的关键抗氧化活性位点为N1-H2， SSPDIFNPQ的关键抗氧化活性位点为N1-H2， DHHDPIMPYL的关键抗氧化活性位点为O145-H146、N48和S107。此外，这些抗氧化肽通过清除活性氧（ROS）、增加还原性谷胱甘肽（GSH）与氧化性谷胱甘肽（GSSG）的比例、激活谷胱甘肽过氧化物酶（GSH- px）活性来维持细胞氧化还原平衡。我们的研究结果突出了量子化学方法在阐明肽的抗氧化机制方面的价值，并支持了spi衍生肽在食品工业中作为有前途的抗氧化剂的潜在应用。

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来源期刊

Food Chemistry 工程技术-食品科技

CiteScore

16.30

自引率

10.20%

发文量

3130

审稿时长

122 days

期刊介绍： Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.