Ab initio studies of the properties of intracellular thiols ergothioneine and ovothiol.
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.
Hand
Christine E
CE
Chemistry Department, University of Waterloo, Waterloo, Ontario, Canada.
Taylor
Nicholas J
NJ
Honek
John F
JF
D004880:Ergothioneine / Q000737:chemistry*; D008762:Methylhistidines / Q000737:chemistry*; D008968:Molecular Conformation; D013329:Structure-Activity Relationship; D013438:Sulfhydryl Compounds / Q000737:chemistry*; D013816:Thermodynamics
D008762:Methylhistidines; D013438:Sulfhydryl Compounds; C050085:ovothiol C; D004880:Ergothioneine