Department of Biologically Active Substances, Kuban State University, 350040 Krasnodar, Russia.
Laboratory of Problems of Stable Isotope Spreading in Living Systems, Federal Research Center the Southern Scientific Center of the Russian Academy of Sciences, 344006 Rostov-on-Don, Russia.
Front Biosci (Landmark Ed). 2024 Nov 13;29(11):381. doi: 10.31083/j.fbl2911381.
There is an assumption about the presence of a specific nucleotides sequence in DNA molecule, which contributes to the genesis of open states (OS). In addition, it would be logical to assume that OS zones should form in DNA regions with a large proportion of Adenine-Thymine (AT) pairs, since they contain fewer hydrogen bonds than Guanine- Cytosine (GC) base pairs. However, studies have shown that in areas rich in AT pairs, the probability of open states will not always be higher.
In this work, for two genes containing different numbers of regions with a large AT pairs proportion, we calculated the ratio of AT and GC pairs in the OS zones. For calculations, we used a coarse-grained angular mechanical DNA model.
It has been established that small OS zones can appear on any part of the DNA molecule. They mainly consist of AT pairs, but as the size of OS zones increases, the content of AT pairs in them decreases.
The occurrence of long-length OS zones is "tied" to regions of the DNA molecule with a large proportion of AT pairs; if there are several such areas, then, depending on the magnitude of the torque, OS zones can arise in different areas of the gene. Thus, the genesis probability of large OS zones in a DNA segment depends not only on the "strength" of the nucleotide sequence of this area, but also on the factors determining the dynamics of DNA.
人们假设 DNA 分子中存在特定的核苷酸序列,该序列有助于形成开放状态 (OS)。此外,从逻辑上讲,人们应该假设 OS 区应该在含有大量腺嘌呤-胸腺嘧啶 (AT) 对的 DNA 区域中形成,因为它们所含的氢键比鸟嘌呤-胞嘧啶 (GC) 碱基对少。然而,研究表明,在富含 AT 对的区域中,开放状态的概率并不总是更高。
在这项工作中,对于包含不同数量富含 AT 对区域的两个基因,我们计算了 OS 区中 AT 和 GC 对的比例。为了进行计算,我们使用了粗粒度的角力学 DNA 模型。
已经确定,小的 OS 区可以出现在 DNA 分子的任何部分。它们主要由 AT 对组成,但随着 OS 区尺寸的增加,其中 AT 对的含量减少。
长长度 OS 区的出现与 DNA 分子中富含 AT 对的区域“绑定”在一起;如果有几个这样的区域,那么,根据扭矩的大小,OS 区可以在基因的不同区域出现。因此,DNA 片段中大 OS 区的产生概率不仅取决于该区域核苷酸序列的“强度”,还取决于决定 DNA 动力学的因素。