Multispectral and molecular dynamics study on the impact of trans, trans-2,4-decadienal and 4-hydroxy-2-nonenal on myoglobin redox stability
Date:2023-09-24 Page Views: 10

Jiajing Qi a 1, Xiaoyin Yang a b 1, Ying Cui a, Yimin Zhang a b, Xin Luo a b, Yanwei Mao a b, Baochen Xu a, Lixian Zhu a bRongrong Liang a b


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.

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