Qi Yaping, Warmenhoven John William, Henthorn Nicholas Thomas, Ingram Samuel Peter, Xu Xie George, Kirkby Karen Joy, Merchant Michael John
School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026, China.
Division of Cancer Sciences, Faculty of Biology, Medicine and Health, University of Manchester, Manchester M13 9PL, UK.
Cancers (Basel). 2021 May 3;13(9):2202. doi: 10.3390/cancers13092202.
Mechanistic in silico models can provide insight into biological mechanisms and highlight uncertainties for experimental investigation. Radiation-induced double-strand breaks (DSBs) are known to be toxic lesions if not repaired correctly. Non-homologous end joining (NHEJ) is the major DSB-repair pathway available throughout the cell cycle and, recently, has been hypothesised to consist of a fast and slow component in G0/G1. The slow component has been shown to be resection-dependent, requiring the nuclease Artemis to function. However, the pathway is not yet fully understood. This study compares two hypothesised models, simulating the action of individual repair proteins on DSB ends in a step-by-step manner, enabling the modelling of both wild-type and protein-deficient cell systems. Performance is benchmarked against experimental data from 21 cell lines and 18 radiation qualities. A model where resection-dependent and independent pathways are entirely separated can only reproduce experimental repair kinetics with additional restraints on end motion and protein recruitment. However, a model where the pathways are entwined was found to effectively fit without needing additional mechanisms. It has been shown that DaMaRiS is a useful tool when analysing the connections between resection-dependent and independent NHEJ repair pathways and robustly matches with experimental results from several sources.
计算机模拟机制模型能够深入了解生物学机制,并突出实验研究中的不确定性。辐射诱导的双链断裂(DSB)如果未得到正确修复,已知是具有毒性的损伤。非同源末端连接(NHEJ)是整个细胞周期中主要的DSB修复途径,最近有人提出,在G0/G1期它由一个快速成分和一个慢速成分组成。慢速成分已被证明依赖于切除,需要核酸酶Artemis发挥作用。然而,该途径尚未完全被理解。本研究比较了两种假设模型,逐步模拟单个修复蛋白对DSB末端的作用,从而能够对野生型和蛋白质缺陷型细胞系统进行建模。性能以来自21种细胞系和18种辐射质量的实验数据为基准。一种切除依赖和独立途径完全分开的模型,只有在对末端运动和蛋白质募集有额外限制的情况下,才能重现实验修复动力学。然而,发现一种途径相互交织的模型无需额外机制就能有效拟合。结果表明,在分析切除依赖和独立的NHEJ修复途径之间的联系时,DaMaRiS是一个有用的工具,并且与来自多个来源的实验结果高度匹配。