摘要
为了解细胞衰老、死亡、癌变等方面的问题,理解导致DNA损伤反应的机理非常重要。其中非常重要的一类导致DNA氧化损伤的反应是羟基自由基(·OH)氧化腺嘌呤A和其他碱基。利用量子化学从头算的方法研究了腺嘌呤A与·OH初始反应机理。综合考虑反应产物的稳定性以及反应的能垒,腺嘌呤A与·OH的初始反应最可能是·OH夺取腺嘌呤A的N(6)H,其次是·OH加成到腺嘌呤A的C(8)位。计算所得结果可为实验提供理论指导,为实验上腺嘌呤A与·OH反应机理的提出指明方向。
In order to address problems such as aging, cell death, and cancer, it is important to understand the mechanisms behind reactions causing DNA damage. One specific reaction implicated in DNA oxidative damage is hydroxyl radical attack on adenine （A） and other nucleic acid bases. In the present study, initial mechanisms of adenine reaction with hydroxyl have been investigated by theoretical calculations. Considering the stability of product and reaction energy barrier, the initial reaction of adenine and hydroxyl radical is most likely to be N （6）H abstraction, followed by C （8） addition. The results obtained can provide theoretical instruction for the experiment, and offer guidance for the proposition of mechanisms of adenine reaction with hydroxyl based on experiment.
出处
《上饶师范学院学报》
2017年第3期84-89,共6页
Journal of Shangrao Normal University
基金
上饶师范学院大学生创新训练项目(2016-CX-11)
江西省教育厅科技项目(GJJ161061)
关键词
羟基自由基
腺嘌呤
加成反应
夺氢反应
反应机理
hydroxyl radical
adenine
addition reaction
H abstraction reaction
reaction mechanism
