Ukr.Biochem.J. 2015; Volume 87, #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: 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.

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Ссылки:

  1. Chesnokova N. P., Ponukalyna E. V., Byzen­kova M. N. Molecular-cellular mechanisms of inactivation of free radicals in biological systems. Adv. Curr. Nat. Sci. 2006;(7):29-36. (In Russian).
  2. Belenychev I. F., Gubskiy Y. I., Levitsky E. L. Regulation of antioxidant homeostasis and detoxification system of the body of the hormone melatonin. The role of melatonin-dependent receptors in the realization of this function. Mod. Probl. Toxicol. 2003;(2):2-16. (In Russian).
  3. Boveris A. Determination of the production of superoxide radicals and hydrogen peroxide in mitochondria. Methods Enzymol. 1984;105:429-35. [pm id="6328196"]
  4. Mahyn D. V., Izmailov D. Yu., Popov I. N., Vladimirov Yu. A. Photochemilumenescence as a method of studying the antioxidant activity in biological systems. Mathematical modeling. Probl. Med. Chem. 2000;46(4):61-66. (In Russian).
  5. Ehlenfeldt MK, Prior RL. Oxygen radical absorbance capacity (ORAC) and phenolic and anthocyanin concentrations in fruit and leaf tissues of highbush blueberry. J Agric Food Chem. 2001 May;49(5):2222-7. [pm id="11368580"]
  6. Korotkova E. I., Karbainov Yu. A., Shev­chuk A. V. Study of antioxidant properties by voltammetry. J. Electroanal. Chem. 2002;508(1):56-60.
  7. Korotkova EI, Karbainov YA, Avramchik OA. Investigation of antioxidant and catalytic properties of some biologically active substances by voltammetry. Anal Bioanal Chem. 2003 Feb;375(3):465-8. Epub 2003 Jan 18. [pm id="12589515"]
  8. Bachuryn S. O. Medico-chemical approaches directed search of drugs for the treatment and prevention of Alzheimer's disease. Probl. Med. Chem. 2001;47(2):155-197. (In Russian).
  9. Prutz W. A., Butler J., Land E. J. The glutathione free radical equilibrium mediating electron transfer to Fе(III) – cytochrome. Biophys. Chem. 1994;49(2):101-111. [cr id="http://dx.doi.org/10.1016/0301-4622(93)e0057-c"]
  10. Kulinskiy V. I., Kolesnychenko V. I. The biolo­gical role of glutathione. Uspekhi Sovremennoi Biologii. 1990;51(1(4)):20-33. (In Russian)
  11. Anderson ME. Glutathione: an overview of biosynthesis and modulation. Chem Biol Interact. 1998 Apr 24;111-112:1-14. Review. [pm id="9679538"], [cr id="http://dx.doi.org/10.1016/s0009-2797(97)00146-4"]
  12. Shapoval G. S., Myronyuk I. E., Thunder V. F., Kruglyak O. S. Electrochemical modeling of redox-reaction of glutathione. J. Gen. Chem. 2008;78(12):2040-2044. (In Russian).
  13. Kolisnyk M. I., Colisnic H. V., Niedziolka J., Vlizlo V. V. Oxygen active forms that their rolein cells metabolism. Anim. Biol. 2009;11(1-2):59-67. (In Ukrainian).]
  14. Granovsky AA. Firefly and PC GAMESS  /Firefly version 8.0.1. [Electronic resource]. − Access mode //http://classic.chem.msu.su /gran/games/forum/ discussion.html.
  15. Kuznetsova T. Y., Solovyova N. V. Simulation of antioxidant properties of melatonin and glutathione in contact with hydroxy radicals. Urgent Probl. Mod. Med.: News Ukr. Med. Stomat. Acad.2012;12(1-2(37-38)):189-193. (In Russian).
  16. Shapoval G. S., Kruglyak O. S., Kuznetso­va T. Yu., Soloviev V. V., Nestyuk N. V. Electrocatalytic oxidation of natural endogenous antioxidants. Catal. Petrochem. 2009;(17):31-38. (In Russian).

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