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PubMed · 4744008

A computer-based comprehensive bio-data information retrieval system.

J D Stein·F M Delaney·S D Peluso·L N Starker
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J D Stein, F M Delaney, S D Peluso, L N Starker. 1973. A computer-based comprehensive bio-data information retrieval system.. https://doi.org/10.1021/c160050a012

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Molecular orbital study on the glutathione-dependent detoxication of ozonides.

The present paper describes a theoretical study on the mechanism underlying the reaction of cellular glutathione (GSH) with polyunsaturated fatty acid ozonides. The reaction can be catalyzed by glutathione S-transferases and leads to detoxication of the ozonides. Semi-empirical molecular orbital computer calculations suggest that the reaction of glutathione with ozonides involves a nucleophilic attack at one of the carbon atoms of the ozonide ring, instead of at one of the peroxidic oxygen atoms of the ozonide ring. This implies a mechanism different from that of the glutathione S-transferase-mediated reaction with hydroperoxides, previously proposed for the glutathione-dependent detoxication of fatty acid ozonides.

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