Mimicking nature: computational design of better antioxidants

该项目将解决生物化学中的一个重大挑战：如何设计有效清除有害自由基的抗氧化剂。这将涉及使用最先进的量子化学计算来确定天然抗氧化剂的分子机制，并设计出具有更高功效的人工抗氧化剂。该项目将引入基于最新突破性研究的新概念和新方法，揭示天然抗氧化剂的新作用机制。这将揭示对关键生物分子自由基损伤的潜在防御反应机制，并将允许设计生物启发的抗氧化剂，用于治疗影响数百万人的氧化损伤相关疾病。

The project will address a major challenge in biochemistry: how to design antioxidants that effectively scavenge harmful free radicals. This will involve the use of state-of-the-art quantum chemistry calculations to determine the molecular mechanisms of natural antioxidants and to design artificial antioxidants with higher efficacy. This project will introduce new concepts and methodologies that build on recent breakthrough research, revealing a novel mechanism of action of natural antioxidants. This will unravel the reaction mechanisms underlying defence against radical damage to key biomolecules, and will allow the design of bioinspired antioxidants for the treatment of oxidative-damage related diseases that affect millions of people.