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Updated: May 12, 2025

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DNA 序列对 ZTA 转录因子的热力学和结构稳定性的影响─DNA 复合体:全原子分子动力学研究

Boobalan Duraisamy¹, Debabrata Pramanik^1,2

¹Department of Physics, SRM University AP, Amaravati 522 240, Andhra Pradesh, India.

The journal of physical chemistry. B

|April 23, 2025

概括

边缘DNA序列显著影响ZTA蛋白与爱斯坦-巴尔病毒DNA的结合亲和力和稳定性. 带着侧翼端的ZRE 3显示出最高的稳定性和结合亲和力,为EBV相关癌症提供潜在的治疗点.

科学领域:

病毒学病毒学
分子生物学分子生物学
结构生物学结构生物学

背景情况:

爱斯坦-巴尔病毒 (EBV) 是一种与癌症相关的玛型病毒.
在90%以上的人口中,EBV建立了潜在的感染.
ZTA转录因子 (TF) 通过与双链DNA (dsDNA) 上的ZTA反应元素 (ZRE) 结合来调节EBV的潜向-to-lytic循环.

研究的目的:

研究DNA序列对ZTATF-dsDNA相互作用的结构稳定性和结合亲和力的影响.
为了阐明ZTA TF与dsDNA结合的机制细节,考虑侧面序列.

主要方法:

经典的全原子分子动力学模拟.
增强的采样模拟.
对ZTA-dsDNA复合体的残留水平和核酸水平的分析.

主要成果:

侧面序列在很大程度上影响ZTA-dsDNA复合体的结构稳定性和结合亲和力.
与ZRE 1和ZRE 2相比,ZRE 3与其自然的侧翼端相结合时,显示出更高的稳定性和结合亲和力.
确定了参与ZTA-dsDNA相互作用的关键蛋白质残留物和DNA基.

结论:

在调节ZTA TF结合动态方面,DNA侧边序列起着至关重要的作用.
对于ZTA TF来说,ZRE 3是一个可能更稳定的结合点.
了解这些相互作用,可以了解EBV的发病过程以及对抗EBV相关癌症的潜在治疗策略.

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