Tag Archives: melatonin

Antioxidant activity of melatonin and glutathione interacting with hydroxyl- and superoxide anion radicals

T. Y. Kuznetsova1, N. V. Solovyova2, V. V. Solovyov1, V. O. Kostenko2

1Yu.Kondratyuk Poltava National Technical University, Ukraine;
2Ukrainian Medical Stomatological Academy, Poltava;
e-mail: kzt7@ukr.net

Based on the analysis of the results obtained by quantum chemical modeling of interaction between reduced glutathione (GSH) and melatonin (MLT) molecules with oxygen radicals (•OH and • OOˉ) it was found that this interaction occured following the acid-base mechanism, where MLT and GSH acted as a base in respect of •OH, and as acid in respect of •OOˉ. We have carried out the correlation of the results of quantum chemical calculations (density redistribution, energetic characteristics) under the interaction of MLT and GSH molecules with •OH and •OOˉ in changing macroscopic properties of the process of electroreduction of free oxygen radicals in the presence of antioxidants (potential and maximal current wave reduction waves). This was a direct experimental macroscale evidence of the results of theoretical modeling at the nanoscale level that pointed to a marked antioxidant activity of glutathione compared with melatonin.

Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals

N. V. Solovyova1, T. Y. Kuznetsova2

1Higher State Medical Educational Institution of Ukraine,
Ukrainian Medical Stomatological Academy, Poltava, Ukraine;
2Yu. Kondratyuk Poltava National Technical University, Ukraine;
e-mail: KZT7@yandex.ru

Following the analysis of the results of quantum chemical simulation of interaction between a GSH molecule and oxygen radicals •ОН and •ООˉ, it was found that it takes place through the acid-base mechanism, where GSH acts as a base towards •ОН, and as an acid towards •ООˉ. The results of quantum chemical calculations (electron density redistribution, energy characteristics) were correlated at the time of interaction of a GSH molecule with •ОН and •ООˉ with a change of macroscopic parameters of the process of free oxygen radical electroreduction in the presence of GSH (potential and maximum current of reduction waves), which is a direct experimental macroscale evidence of results of the conducted nanoscale theoretical simulation.