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基于多重光谱技术和分子建模分析的 perfluorobutanesulfonyl化物分析的潜在毒性影响

Xiangying Jin¹, Ziang Xu¹, Manwen Zhang¹

¹State Environmental Protection Key Laboratory of Environmental Pollution Health Risk Assessment, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, China.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

|December 1, 2023

概括

perfluorobutanesulfonyl化物 (PBSF) 在人类中正在积累. 这项研究表明,PBSF通过疏水性相互作用强烈地与牛血清白蛋白 (BSA) 结合,影响蛋白质积累.

科学领域:

环境科学环境科学
生物化学生物化学
毒理学毒理学毒理学

背景情况:

perfluorobutanesulfonyl化物 (PBSF) 是一种持久性化物,增加了人类的暴露.
了解PBSF与蛋白质等生物分子的相互作用,对于评估其对健康的影响至关重要.

研究的目的:

为了阐明Perfluorobutanesulfonyl化物 (PBSF) 和牛血清白蛋白 (BSA) 之间的相互作用机制.
为了研究金属离子对PBSF-BSA结合的影响.

主要方法:

紫外线可见光谱光度计.
光光谱学是一种光谱学.
一个圆形的二重化.
分子对接模拟分子对接模拟
分子动力学 (MD) 模拟

主要成果:

PBSF通过静态机制灭了BSA光,表明强度结合 (K_a = 1.34 × 10⁵ mol^-1 L).
疏水性相互作用调解了PBSF和BSA之间的结合.
发现铜 (Cu2+) 和 (Ca2+) 离子会影响PBSF-BSA相互作用.

结论:

PBSF对BSA表现出强烈的结合亲和力,这表明它有可能在人体中积累.
疏水性相互作用是PBSF与蛋白质结合的关键.
金属离子调节PBSF-蛋白相互作用,突出了一个复杂的毒理途径.

关键词:

牛血清中的牛血清蛋白.光光谱学是一种光谱学.分子对接是分子对接.分子动力学分子动力学 perfluorobutanesulfonyl 化物的使用情况.

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