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- W4296329609 abstract "Ovothiol and ergothioneine are powerful antioxidants that readily react with oxidants by forming their respective disulfides. In fact, ovothiol is widely considered one of the most powerful natural antioxidants. However, for these antioxidants to be again involved in reacting with oxidants, they must be regenerated via the reduction of the disulfide bonds. In the present work, the regeneration of the antioxidants ovothiol and ergothioneine and their selenium analogues, by the closed-shell nucleophilic attack of glutathione, was investigated using density functional theory. From the calculated thermodynamic data, the attack of glutathione on OSSO and EYYE (where Y = S and/or Se) will readily occur in solution. Moreover, in comparison to the reference reaction GSH + GSSG → GSSG + GSH, all reactions are expected to be faster. Overall, the results presented herein show that the key antioxidant GSH should readily recycle ovothiol, ovoselenol, ergothioneine, and ergoseloneine from OYYO and EYYE (where Y = S and/or Se)." @default.
- W4296329609 created "2022-09-20" @default.
- W4296329609 creator A5037824208 @default.
- W4296329609 creator A5043892296 @default.
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- W4296329609 date "2022-08-31" @default.
- W4296329609 modified "2023-09-27" @default.
- W4296329609 title "Computational Insights into the Regeneration of Ovothiol and Ergothioneine and Their Selenium Analogues by Glutathione" @default.
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- W4296329609 doi "https://doi.org/10.1021/acsomega.2c02506" @default.
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