Multispectral and molecular dynamics study on the impact of trans, trans-2,4-decadienal and 4-hydroxy-2-nonenal on myoglobin redox stability

Jiajing Qi; Xiaoyin Yang; Ying Cui; Yimin Zhang; Xin Luo; Yanwei Mao; Baochen Xu; Lixian Zhu; Rongrong Liang

doi:10.1016/j.foodchem.2023.137366

Multispectral and molecular dynamics study on the impact of trans, trans-2,4-decadienal and 4-hydroxy-2-nonenal on myoglobin redox stability

Food Chem. 2024 Feb 1:433:137366. doi: 10.1016/j.foodchem.2023.137366. Epub 2023 Sep 3.

Authors

Jiajing Qi¹, Xiaoyin Yang², Ying Cui¹, Yimin Zhang², Xin Luo², Yanwei Mao², Baochen Xu¹, Lixian Zhu², Rongrong Liang³

Affiliations

¹ Lab of Meat Processing and Quality Control, College of Food Science and Engineering, Shandong Agricultural University, Tai'an 271018, Shandong, China.
² Lab of Meat Processing and Quality Control, College of Food Science and Engineering, Shandong Agricultural University, Tai'an 271018, Shandong, China; National R&D Center for Beef Processing Technology, Tai'an 271018, Shandong, China.
³ Lab of Meat Processing and Quality Control, College of Food Science and Engineering, Shandong Agricultural University, Tai'an 271018, Shandong, China; National R&D Center for Beef Processing Technology, Tai'an 271018, Shandong, China. Electronic address: rrliang@sdau.edu.cn.

PMID: 37688827
DOI: 10.1016/j.foodchem.2023.137366

Abstract

This study investigated the interaction between myoglobin (Mb) and two lipid oxidation products, 4-hydroxy-2-nonenal (HNE) and trans, trans-2,4-decadienal (tt-DDE), at pH 5.6 and 7.4 through the combination of multispectral and molecular dynamics simulations. In this study, tt-DDE was more prone to promote Mb oxidation than HNE by loosening the Mb structure, which is associated with more destroyed secondary and tertiary structures. Furthermore, the pro-oxidation of both lipid products was stronger at pH 5.6 than at pH 7.4. The molecular docking revealed that both tt-DDE and HNE were combined closely with the heme group of Mb. And tt-DDE had hydrogen bonds, hydrophobic interactions, and van der Waals forces with Mb, but HNE only had hydrophobic interactions. In conclusion, it was firstly found that tt-DDE was also shown to have high activity in promoting Mb oxidation as another important aldehyde from lipid oxidation products.

Keywords: Fluorescence quenching; Lipid oxidation products; Molecular dynamics simulation; Myoglobin; Trans, trans - 2, 4 - decadienal.