New insights into the structure-activity relationships of antioxidative peptide PMRGGGGYHY

文献类型： 外文期刊

第一作者： Wu, RiBang

作者： Wu, RiBang;Huang, JiaFeng;Huan, Ran;Liu, Dan;Wang, Meng;Liu, CongLing;He, HaiLun;Chen, LeiLei;Chen, LeiLei;Yi, CuiPing

作者机构：

关键词： Antioxidant peptides; Structure-activity; Quantum mechanics; ORAC; ROS

期刊名称：FOOD CHEMISTRY （ 影响因子：7.514； 五年影响因子：7.516 ）

ISSN： 0308-8146

年卷期： 2021 年 337 卷

页码：

收录情况： SCI

摘要： The sequence and structure of antioxidant peptides play fundamental roles in their antioxidant functions. However, the structural mechanism of antioxidant peptides is still unclear. In this study, we used quantum calculations to reveal the antioxidant mechanism of the peptide PMRGGGGYHY. PMRGGGGYHY has multiple antioxidant active sites, and two tyrosine residues were determined to be the major active sites. Based on the structure-activity relationships of PMRGGGGYHY, the antioxidant activity of the modified peptide significantly improved by 4.8-fold to 9.73 +/- 0.61 mu mol TE/mu mol. In addition, the removal of glycine residues from PMRGGGGYHY would increase the energy of the HOMOs and simplify the hydrogen bonding network, causing a significant increase in antioxidant activity. The intracellular ROS scavenging ability gradually decreased with decreasing glycine content. This same peptide has very different effects in vitro versus as a cellular antioxidant. This paper provides new insights into the structural mechanism and rational design/modification of novel antioxidant peptides.

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