双孢蘑菇凝集素与酚酸的分子相互作用：以4-羟基苯甲酸和对香豆酸为例

IF 3.2 4区农林科学 Q2 FOOD SCIENCE & TECHNOLOGY

Food Biophysics Pub Date : 2025-08-07 DOI:10.1007/s11483-025-10010-x

Mengya He, Lloyd Condict, Samantha J. Richardson, Charles S. Brennan, Stefan Kasapis

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引用次数: 0

摘要

双孢蘑菇凝集素（ABL）与酚酸、4-羟基苯甲酸（4HBA）和对香豆酸（p-CA）在中性pH和室温条件下呈非共价相互作用。与4HBA或p-CA络合的ABL的二级结构分析表明，α-螺旋含量分别降低了3%和4%左右。本特性荧光猝灭表明ABL与4HBA的结合常数（1.27 × 105 M−1）比ABL与p-CA的结合常数（1.88 × 104 M−1）更强，分子对接分析也显示ABL-4HBA的结合能（ΔG）（-20.1 kJ/mol）比ABL-p-CA的结合能（-16.3 kJ/mol）更强。对接还表明，酚酸相互作用发生在ABL的葡萄糖结合区，主要由多个氢键稳定，特别是Arg103，它也被怀疑是葡萄糖结合中的重要残基。这些发现为ABL与天然酚类化合物的结合行为提供了有价值的见解，有助于更好地了解其在功能食品或营养保健品中的潜在生物活性特性。

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Molecular Interactions between Agaricus bisporus Lectin and Phenolic Acids: The Example of 4-Hydroxybenzoic Acid and p-Coumaric Acid

The interactions between Agaricus bisporus lectin (ABL) and phenolic acids, 4-hydroxybenzoic acid (4HBA) and p-coumaric acid (p-CA), were found to be non-covalent in nature at neutral pH and ambient temperature according to UV-vis analysis. Secondary structure analysis of the ABL on complexation with 4HBA or p-CA showed a reduction in α-helix content of around 3 and 4%, respectively. Intrinsic fluorescence quenching indicates that the association constant between ABL and 4HBA is stronger (1.27 × 10⁵ M^− 1) than ABL and p-CA (1.88 × 10⁴ M^− 1), with molecular docking analysis also showing a stronger binding energy (ΔG) for ABL-4HBA (-20.1 kJ/mol) than ABL-p-CA (-16.3 kJ/mol). Docking also suggests that phenolic acid interactions occur in the glucose binding region of ABL, stabilized mainly by multiple hydrogen bonds, notably including Arg103, which is also suspected to be a significant residue in glucose binding. These findings provide valuable insights into the binding behaviour of ABL with naturally occurring phenolic compounds, contributing to a better understanding of its potential bioactive properties in functional foods or as a nutraceutical.

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来源期刊

Food Biophysics 工程技术-食品科技

CiteScore

5.80

自引率

3.30%

发文量

审稿时长

1 months

期刊介绍： Biophysical studies of foods and agricultural products involve research at the interface of chemistry, biology, and engineering, as well as the new interdisciplinary areas of materials science and nanotechnology. Such studies include but are certainly not limited to research in the following areas: the structure of food molecules, biopolymers, and biomaterials on the molecular, microscopic, and mesoscopic scales; the molecular basis of structure generation and maintenance in specific foods, feeds, food processing operations, and agricultural products; the mechanisms of microbial growth, death and antimicrobial action; structure/function relationships in food and agricultural biopolymers; novel biophysical techniques (spectroscopic, microscopic, thermal, rheological, etc.) for structural and dynamical characterization of food and agricultural materials and products; the properties of amorphous biomaterials and their influence on chemical reaction rate, microbial growth, or sensory properties; and molecular mechanisms of taste and smell. A hallmark of such research is a dependence on various methods of instrumental analysis that provide information on the molecular level, on various physical and chemical theories used to understand the interrelations among biological molecules, and an attempt to relate macroscopic chemical and physical properties and biological functions to the molecular structure and microscopic organization of the biological material.