College of Food Science, Northeast Agricultural University, Harbin, Heilongjiang 150030, China; College of Food Science and Engineering, Kunming University of Science and Technology, Kunming, Yunnan Province 650500, China.
College of Animal Science & Technology, China Agricultural University, Haidian District, Beijing 100193, China.
Food Chem. 2022 Dec 15;397:133776. doi: 10.1016/j.foodchem.2022.133776. Epub 2022 Jul 25.
The interactions between myofibrillar proteins (MPs) and furan derivatives were researched by spectroscopic and molecular docking approaches. The gas chromatography-mass spectrometry results showed that the binding capacity of MPs to the furan derivatives decreased in the order 5-methyl furfural > furfural > 2-acetylfuran > furfuryl alcohol. It largely depended on molecular polarity and the position of the branched chain of the furan derivatives. Fluorescence analysis showed that the interaction between furan derivatives and MPs was a combination of static and dynamic quenching, affecting the tryptophan and tyrosine residue microenvironment of MPs. After the interaction, the conformational investigation showed that the presence of furan derivatives decreased the contents of ordered structures of MPs, transforming them into random coils. According to the molecular docking model and thermodynamic parameters, hydrogen bonds, van der Waals forces and hydrophobic interactions were considered to be the main interaction forces between MPs and all four furan derivatives.
通过光谱和分子对接方法研究了肌原纤维蛋白 (MPs) 与呋喃衍生物之间的相互作用。气相色谱-质谱联用结果表明，MPs 与呋喃衍生物的结合能力按以下顺序降低：5-甲基糠醛>糠醛>2-乙酰呋喃>糠醇。这在很大程度上取决于呋喃衍生物的分子极性和支链位置。荧光分析表明，呋喃衍生物与 MPs 之间的相互作用是静态和动态猝灭的结合，影响 MPs 中色氨酸和酪氨酸残基的微环境。相互作用后，构象研究表明，呋喃衍生物的存在降低了 MPs 有序结构的含量，将其转化为无规卷曲。根据分子对接模型和热力学参数，氢键、范德华力和疏水相互作用被认为是 MPs 与所有四种呋喃衍生物之间的主要相互作用力。
