Li Yu-Zhen, Zhou Xiao-Lu, Huo Bao-Qi, Chen De-Zhan, Liu Zhao-Hua, Sheng Xie-Huang
College of Chemistry, Chemical Engineering and Materials Science, Collaborative Innovation Center of Functionalized Probes for Chemical Imaging in Universities of Shandong, Key Laboratory of Molecular and Nano Probes, Ministry of Education, Shandong Provincial Key Laboratory of Clean Production of Fine Chemicals, Shandong Normal University, Jinan, China.
Key Laboratory of Systems Bioengineering, Ministry of Education, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China.
Front Chem. 2019 Dec 17;7:850. doi: 10.3389/fchem.2019.00850. eCollection 2019.
Aminic radical-trapping antioxidants (RTAs), as one of the most important antioxidants, have not received sufficient attention yet. But, an increasing number of aminic RTAs have been identified as ferroptosis inhibitors in recent years, which can potentially mediate many pathological states including inflammation, cancer, neurodegenerative disease, as well as ocular and kidney degeneration. This highlights the importance of aminic RTAs in the field of medicine. Herein, we systematically explored the radical scavenging mechanism of aminic RTAs with a quantum chemical method, particularly emphasizing the role of stereoelectronic factors and resonance factors on the transfer of H-atom and the stability to one-electron oxidation. These theoretical results elucidate the diversity of free radical scavenging mechanisms for aminic RTAs, and has significant implications for the rational design of new aminic RTAs.
胺基自由基捕获抗氧化剂（RTAs）作为最重要的抗氧化剂之一，尚未得到足够的关注。但是，近年来越来越多的胺基RTAs被鉴定为铁死亡抑制剂，其可能介导包括炎症、癌症、神经退行性疾病以及眼部和肾脏退化在内的许多病理状态。这突出了胺基RTAs在医学领域的重要性。在此，我们用一种量子化学方法系统地探索了胺基RTAs的自由基清除机制，特别强调了立体电子因素和共振因素在氢原子转移以及单电子氧化稳定性方面的作用。这些理论结果阐明了胺基RTAs自由基清除机制的多样性，对新型胺基RTAs的合理设计具有重要意义。
