The Pawsey Supercomputing Centre


Mimicking nature: computational design of better antioxidants

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. The research will introduce new concepts and methodologies that build on recent breakthrough research by the candidate, 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 design bioinspired antioxidants for the treatment of oxidative-damage related diseases that affect millions of people.


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