Molecular mechanism of succinylation-mediated inhibition of heat-induced egg white protein aggregation: Structural characterization and molecular dynamics simulations

IF 8.5 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2025-05-17 DOI:10.1016/j.foodchem.2025.144807

Gan Hu , Xuan Yao , Xinyue Huang , Yuting Du , Wenlong Xu , Jinqiu Wang , Fang Geng

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Abstract

Thermal aggregation of food proteins poses a significant challenge in liquid food systems, limiting their practical applications in food processing and formulation. This study investigates the mechanism by which succinylation enhances the thermal stability of egg white proteins (EWP). The results demonstrated succinylation effectively prevented heat-induced aggregation (90 °C, 30 min), maintaining over 80 % light transmittance. Molecular dynamics simulations revealed that succinylation disrupted key salt bridges (eg., K62-E254, E14-K227) and increased polar surface area from 13,836 to 20,338 Å², significantly altering protein-protein and protein-solvent interactions. These molecular changes were further confirmed by increased zeta potential (from −17.5 mV to −36.8 mV), enhanced β-sheet content (27.4 % to 40.0 %), and reduced surface hydrophobicity. As a result, the size of heat-induced aggregates decreased dramatically from 113.19 μm to 196.17 nm. These findings provide novel insights into the molecular basis of succinylation-enhanced protein thermal stability, offering valuable strategies for improving protein functionality in liquid food systems.

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琥珀酰化介导的热诱导蛋清蛋白聚集抑制的分子机制：结构表征和分子动力学模拟

食品蛋白的热聚集对液体食品系统提出了重大挑战，限制了它们在食品加工和配方中的实际应用。本研究探讨琥珀酰化提高蛋清蛋白热稳定性的机制。结果表明琥珀酰化有效地阻止了热诱导聚集（90 °C, 30 min），保持了超过80% %的透光率。分子动力学模拟显示琥珀酰化破坏了关键的盐桥(例如。（K62-E254, E14-K227），极性表面积从13,836增加到20,338 Å2，显著改变了蛋白质和蛋白质-溶剂的相互作用。zeta电位的增加（从−17.5 mV增加到−36.8 mV）， β片含量的增加（从27.4 %增加到40.0 %）和表面疏水性的降低进一步证实了这些分子变化。结果表明，热诱导团聚体的粒径从113.19 μm急剧减小到196.17 nm。这些发现为琥珀酰化增强蛋白质热稳定性的分子基础提供了新的见解，为改善液体食品系统中蛋白质的功能提供了有价值的策略。

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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.