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Supercomputers used to design superior antioxidants

Wednesday, February 20, 2013 13:40
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From NextBigFuture.com

Scientists from the ARC Centre of Excellence for Free Radical Chemistry and Biotechnology at the University of Sydney leveraged techniques from quantum chemistry and supercomputing to custom design molecules with improved antioxidant ability. Lead researchers Professor believe that these novel compounds hold the key to slowing the progression of age-related diseases, such as heart disease, cancer, diabetes, and Alzheimer's disease.

The team investigated the ability of carnosine to scavenge the oxidant, hypochlorous acid. Normal amounts of hypochlorous acid work with the body's immune system to fight off invading pathogens, but too much of the substance is associated with the development of heart disease.

“The supercomputer modelling allows us to probe deeply into the molecular structure and helps us to understand just why carnosine is such an effective antioxidant. Armed with this understanding, we are then able to design even better antioxidants,” said Professor Radom.

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