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多环芳和胺 (T) 基之间的相互作用会诱导不同物种的双链DNA扭曲

Xinyue Liu¹, Jianjian Wu¹, Shichong He²

¹Department of Environment, College of Environment and Resources, Xiangtan University, Xiangtan 411105, China; Key Laboratory of Environmental Eco-Health, Hunan, College of Environment and Resources, Xiangtan University, Xiangtan 411105, China.

The Science of the total environment

|August 8, 2024

概括

多环芳 (PAH) 通过范德瓦尔斯力和pi-pi堆叠,通过沟与双链DNA (dsDNA) 结合. 烯表现出最强的dsDNA结合能力,影响DNA结构,并可能导致PAH毒性.

科学领域:

环境化学环境化学
分子生物学分子生物学
生物物理学的生物物理.

背景情况:

多环芳 (PAH) 是已知与DNA相互作用的环境污染物,可能导致遗传损伤.
通过PAHs与双链DNA (dsDNA) 结合的精确机制以及由此产生的结构和能量后果仍然不完全理解.

研究的目的:

阐明代表性PAHs (氨酸,氨酸,[a]氨酸) 与不同物种 (大肠杆菌,A. thaliana,H. sapiens) 的dSDNA的结合机制.
为了比较这些PAH-dsDNA相互作用的结合亲和力和热力学参数.
为了研究PAH与dSDNA结合的结构影响.

主要方法:

计算建模以探索PAH-dsDNA结合模式和能量.
频谱实验以确认结合并确定关键相互作用地点.
热力学分析 (和变化) 用于表征结合相互作用.
原子力显微镜 (AFM) 用于可视化dDNA结构扭曲.

主要成果:

通过范德瓦尔斯力和π-π堆叠,PAHs通过dSDNA沟与dSDNA沟结合,而胺 (T) 基是关键的相互作用地点.
比伦在所有测试的dsDNA物种中表现出最高的结合亲和力,而非和[a]比伦.
皮伦-dsDNA相互作用的特点是包含范德瓦尔斯力和键 (ΔH < 0, ΔS < 0) 的外热反应,而烯和[a]皮伦相互作用则涉及疏水力 (ΔH > 0, ΔS > 0).
二烯结合诱导了dSDNA结构的显著局部扭曲,可以通过AFM观察到.

结论:

这项研究揭示了PAHs和dsDNA之间的新型结合现象,突出了pyrene强大的结合能力.
这些发现提供了对PAH诱导的基因毒性及其环境影响背后的分子机制的见解.
了解这些相互作用对于评估与PAH污染相关的风险至关重要.

关键词:

相互作用机制相互作用机制多环芳香碳化合物多环芳香碳化合物这就是T基T基.dsDNADNADNA 的意思是什么

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