Ab initio studies of the properties of intracellular thiols ergothioneine and ovothiol
Abstract
Intracellular naturally occurring aromatic thiols such as ergothioneine and the ovothiols have been shown to play a variety of roles in cellular function. A detailed ab initio electronic structure analysis of these thiols is reported evaluating the thermodynamics of the reactions of these intracellular thiols with alkyl thiols, HO
, H2O2, ascorbate and their disulfides.
Graphical abstract
A detailed ab initio electronic structure analysis of ergothioneine and ovothiol is reported, which evaluates the thermodynamics of these thiols with alkyl thiols, hydroxide radicals, hydrogen peroxide and ascorbate.
Section snippets
Acknowledgements
The authors wish to thank NSERC Canada and the University of Waterloo for research support and UW for access to the UW High Performance Computing Centre. Special thanks to Mr. Robyn Landers for technical assistance and helpful discussions.
References and notes (51)
Meth. Enzymol.
(1990)Vitam. Horm.
(1959)- et al.
J. Biol. Chem.
(1957) - et al.
J. Biol. Chem.
(1959) - et al.
J. Biol. Chem.
(1962) - et al.
J. Biol. Chem.
(1974) - et al.
Arch. Biochem. Biophys.
(1991) - et al.
Biochem. Biophys. Res. Commun.
(2003) - et al.
Clin. Nutr.
(2004) - et al.
Food Chem. Tox.
(2002)