The Ukrainian Biochemical Journal
ISSN 2409-4943

Journal archive > 2015 > N 2 March-April

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: This email address is being protected from spambots. You need JavaScript enabled to view it.

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.

Key words: antioxidants, melatonin, hydroxyl radical, superoxide-anion-radical, glutathione.

The original article in English is available for download in PDF format.

© The Ukrainian Biochemical Journal