Kuban State Medical University, 350063 Krasnodar, Russia.
Kuban State University, 350040 Krasnodar, Russia.
Molecules. 2020 Aug 18;25(16):3753. doi: 10.3390/molecules25163753.
In the present study, the effect of H/H isotopic exchange in hydrogen bonds between nitrogenous base pairs on occurrence and open states zones dynamics is investigated. These processes are studied using mathematical modeling, taking into account the number of open states between base pairs. The calculations of the probability of occurrence of open states in different parts of the gene were done depending on the localization of the deuterium atom. The mathematical modeling study demonstrated significant inequality (dependent on single H/H replacement in DNA) among three parts of the gene similar in length of the frequency of occurrence of the open states. In this paper, the new convenient approach of the analysis of the abnormal frequency of open states in different parts of the gene encoding interferon alpha 17 was presented, which took into account both rising and decreasing of them that allowed to make a prediction of the functional instability of the specific DNA regions. One advantage of the new algorithm is diminishing the number of both false positive and false negative results in data filtered by this approach compared to the pure fractile methods, such as deciles or quartiles.
在本研究中，研究了氢键中氮碱基对之间的 H/H 同位素交换对出现和开放状态区动力学的影响。这些过程是通过数学建模来研究的，考虑了碱基对之间的开放状态数。根据氘原子的定位，计算了不同基因区域中开放状态出现的概率。数学建模研究表明，在长度相似的基因的三个部分之间存在显著的不平等（取决于 DNA 中的单个 H/H 替换），即开放状态出现的频率。本文提出了一种新的分析干扰素α17 编码基因不同部分中开放状态异常频率的方法，该方法既考虑了它们的上升也考虑了它们的下降，从而可以预测特定 DNA 区域的功能不稳定性。与纯分位数方法（如十分位数或四分位数）相比，该新算法的一个优点是减少了通过该方法过滤的数据中假阳性和假阴性结果的数量。
