绘制核细胞体中所有体通信的地图,具有条件活动
Augustine C Onyema1,2, Chukwuebuka Dikeocha3, Rutika Patel1,2
1Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States.
Journal of chemical information and modeling
|February 24, 2026
概括
我们开发了CONDACT,这是一个Python库,用于分析核酶体动力学和绘制通信路径. 这揭示了基因组-DNA相互作用如何影响基因组可访问性,并提供了治疗点.
科学领域:
- 结构生物学是结构生物学.
- 计算生物物理学的计算生物物理.
- 基因组学就是基因组学.
背景情况:
- 核细胞核粒子 (NCPs) 通过基因子和DNA之间的全性通信来调节基因组的可访问性.
- 了解这些动态对于破译基因调节和疾病机制至关重要.
研究的目的:
- 用分子动力学模拟来量化核体系统中时间解析的动力学相关性.
- 开发一个开源的Python库,CONDACT,用于分析核酶体动力学.
- 在NCP中识别远程全性传播途径.
主要方法:
- 使用Widom-601和ASPDNA序列对NCP进行长期分子动力学模拟.
- 开发并应用了CONDACT (条件活动) Python库.
- 追踪二面角过渡以识别具有高动态内存和地图通信路径的残留物.
主要成果:
- 在NCP中识别出动态连接的域,包括基因组子单元和DNA.
- 绘制了残留物间的通讯路径,揭示了高达7.5nm的动态合.
- 强调了这些途径中翻译后修饰部位和瘤基因突变部位的参与.
结论:
- 这项研究为核细胞的长距离全性行为及其在染色质可访问性中的作用提供了新的见解.
- CONDACT 能够对核酶体动态进行定量分析,揭示功能上重要的通信网络.
- 研究结果表明,干预的核细胞组域内有潜在的治疗点.
相关概念视频
Nucleosome Remodeling
11.4K
Nucleosomes are the basic units of chromatin compaction. Each nucleosome consists of the DNA bound tightly around a histone core, which makes the DNA inaccessible to DNA binding proteins such as DNA polymerase and RNA polymerase. Hence, the fundamental problem is to ensure access to DNA when appropriate, despite the compact and protective chromatin structure.
Nucleosome remodeling complex
Eukaryotic cells have specialized enzymes called ATP-dependent nucleosome remodeling enzymes. These enzymes...
Nucleosome remodeling complex
Eukaryotic cells have specialized enzymes called ATP-dependent nucleosome remodeling enzymes. These enzymes...
11.4K
Histone Modification
16.6K
The histone proteins have a flexible N-terminal tail extending out from the nucleosome. These histone tails are often subjected to post-translational modifications such as acetylation, methylation, phosphorylation, and ubiquitination. Particular combinations of these modifications form “histone codes” that influence the chromatin folding and tissue-specific gene expression.
Acetylation
The enzyme histone acetyltransferase adds acetyl group to the histones. Another enzyme, histone...
Acetylation
The enzyme histone acetyltransferase adds acetyl group to the histones. Another enzyme, histone...
16.6K
Histone Modification
4.7K
4.7K
The Nucleosome Core Particle
2.5K
Nucleosomes are the DNA-histone complex, where the DNA strand is wound around the histone core. The histone core is an octamer containing two copies of H2A, H2B, H3, and H4 histone proteins.
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their primary aim is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. On the other hand, they must allow polymerase enzymes to access histone-bound DNA during...
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their primary aim is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. On the other hand, they must allow polymerase enzymes to access histone-bound DNA during...
2.5K
The Nucleosome Core Particle
14.8K
Nucleosomes are the DNA-histone complex, where the DNA strand is wound around the histone core. The histone core is an octamer containing two copies of H2A, H2B, H3, and H4 histone proteins.
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...
14.8K
Spreading of Chromatin Modifications
9.7K
The histone proteins in the nucleosomes are post-translationally modified (PTM) to increase or decrease access to DNA. The commonly observed PTMs are methylation, acetylation, phosphorylation, and ubiquitination of lysine amino acids in the histone H3 tail region. These histone modifications have specific meaning for the cell. Hence, they are called "histone code". The protein complex involved in histone modification is termed as "reader-writer" complex.
Writers
The writer...
Writers
The writer...
9.7K


