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通过多光谱和分子对接分析,探索牛血清白蛋白和 propionate 之间的相互作用

Mansour Mahmoudpour¹, Zahra Karimzadeh², Mohsen Zaheri²

¹Student Research Committee, Tabriz University of Medical Sciences, Tabriz, Iran; Pharmaceutical Analysis Research Center, Tabriz University of Medical Sciences, Tabriz, Iran; Miandoab Schools of Medical Sciences, Miandoab, Iran.

International journal of biological macromolecules

|March 5, 2025

概括

propionate (SP) 通过键和范德瓦尔斯力与牛血清白蛋白 (BSA) 相互作用. 这种约束性改变了BSA.

科学领域:

生物化学生物化学
蛋白质 - 配体相互作用
频谱学是一种光谱学.

背景情况:

牛血清白蛋白 (BSA) 是生物系统中至关重要的蛋白质.
了解与BSA的联结体相互作用对于药物开发和生物化学研究至关重要.
propionate (SP) 是一种常见的食品添加剂,具有潜在的生物相互作用.

研究的目的:

调查 propionate (SP) 与牛血清白蛋白 (BSA) 的热力学特性和结合方式.
阐明SP对BSA构成和微环境的影响.
为了确定SP与BSA的结合点和亲和力.

主要方法:

使用光谱学 (包括同步光) 和FT-IR光谱学.
斯特恩-沃尔默分析被用来研究光灭机制.
进行了分子对接模拟,以预测结合能量和地点.

主要成果:

通过混合灭机制,SP有效地灭了BSA的内在光,表明了Trp残留微环境的变化.
热力学分析表明,SP通过键和范德瓦尔斯力与BSA结合.
站点竞争性研究和分子对接显示SP与BSA的I和II站点结合,结合能量为-6.26kJ/mol.

结论:

酸与牛血清白蛋白具有良好的相互作用,改变其构造和微环境.
结合涉及键和范德瓦尔斯相互作用,主要影响Trp残留物.
SP与BSA上的多个部位结合,这表明其对其生物功能有潜在的影响.

关键词:

牛血清中的牛血清蛋白.互动互动互动互动多种光谱学多种光谱学 propionate 的使用方法

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