Mimicking nature: computational design of better antioxidants

模仿自然：更好的抗氧化剂的计算设计

• 批准号: DE140100311
• 负责人: Prof Amir Karton
• 金额: $ 27.63万
• 依托单位: The University of Western Australia
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Early Career Researcher Award
• 财政年份: 2014
• 资助国家: 澳大利亚
• 起止时间: 2014-01-01 至 2017-05-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DE140100311
• 关键词: Mimicking; nature; computational; design; better

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.

该项目将解决生物化学中的一个主要挑战：如何设计有效抑制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，并设计具有更高功效的人工抗氧化剂。该项目将介绍建立在最近突破性研究基础上的新概念和方法，揭示天然抗氧化剂的新作用机制。这将揭示防御关键生物分子自由基损伤的反应机制，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。