Application of spectroscopic techniques combined with molecular docking for the study of the interactions between bovine lactoferrin, 20-carbon unsaturated fatty acid, and rutin

IF 3.3 3区农林科学 Q2 FOOD SCIENCE & TECHNOLOGY

International Journal of Food Science & Technology Pub Date : 2025-01-01 DOI:10.1093/ijfood/vvaf001

Anna Wang, Xiaohong Chen, WU Li-gen

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引用次数: 2

Abstract

Abstract The interaction mechanism of lactoferrin (LF) with arachidonic acid (AA)/eicosapentaenoic acid (EPA) and rutin (RU) was investigated by spectroscopic method and molecular docking technique. The investigation revealed that LF and AA/EPA bind to form a stable complex. The quenching mechanism of RU on LF and the LF-fatty acid complex was identified as static quenching. The thermodynamic analysis further substantiated that the bonding process was characterised by an endothermic nature and driven by entropy, with hydrophobic interaction serving as the predominant driving force. Synchronous fluorescence analysis revealed a closer proximity of the interaction site to the tryptophan residue, which was further confirmed by three-dimensional fluorescence and 8-Amino-1-naphthalenesulfonic acid fluorescence assays. The molecular docking study revealed the binding sites of LF with unsaturated fatty acids and RU. The present study elucidated the microscale interactions between LF and bioactive compounds, thereby providing a theoretical foundation for the creation of innovative functional foods and supplements.

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应用光谱技术结合分子对接研究牛乳铁蛋白、20碳不饱和脂肪酸和芦丁之间的相互作用

摘要采用光谱法和分子对接技术研究乳铁蛋白（LF）与花生四烯酸(AA)/二十碳五烯酸（EPA）和芦丁（RU）的相互作用机制。研究表明，LF与AA/EPA结合形成稳定的复合物。RU对LF及LF-脂肪酸络合物的猝灭机理为静态猝灭。热力学分析进一步证实了键合过程具有吸热性质，由熵驱动，疏水相互作用是主要驱动力。同步荧光分析表明，相互作用位点与色氨酸残基更接近，三维荧光和8-氨基-1-萘磺酸荧光进一步证实了这一点。分子对接研究揭示了LF与不饱和脂肪酸和RU的结合位点。本研究阐明了LF与生物活性化合物之间的微观相互作用，从而为创新功能食品和补充剂的开发提供了理论基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

International Journal of Food Science & Technology 工程技术-食品科技

CiteScore

5.80

自引率

9.10%

发文量

655

审稿时长

2.9 months

期刊介绍： The International Journal of Food Science & Technology (IJFST) is published for the Institute of Food Science and Technology, the IFST. This authoritative and well-established journal publishes in a wide range of subjects, ranging from pure research in the various sciences associated with food to practical experiments designed to improve technical processes. Subjects covered range from raw material composition to consumer acceptance, from physical properties to food engineering practices, and from quality assurance and safety to storage, distribution, marketing and use. While the main aim of the Journal is to provide a forum for papers describing the results of original research, review articles are also welcomed.

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