The mechanism of action of the selenenamide 1 as a mimic of the glutathione peroxidase (GPx) was investigated by the density functional theory. The solvent-assisted proton exchange procedure was applied to model the catalytic ...

The development of enzyme mimics has been rapidly increased, recently. Herein, the studies on the
mechanism of oxidation reaction of GPx mimic in the presence of hydrogen peroxide were evaluated by using the 6-31+G(d,p) basis set and the density...

of the oxygen transfer from hydrogen peroxide molecule to selenium center in the GPx mimic were calculated for the related processes. Reduction
reaction of H2O2 in the presence of GPx mimic was examined in different solvents, such as water, dimethyl sulfoxide...