In silico and in vitro evaluation of the biological activity of some organic sulfur-containing compounds

Authors : Victoria OSIPOVA, Maria POLOVINKINA, Anastasia OSIPOVA, Yulia GRACHEVA, Andrey OKHLOBYSTIN

Pages : 1336-1349

View : 17 | Download : 5

Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :It was predicted, using the Prediction of Activity Spectra for Substances online software, that organic sulfur-containing compounds 2,6-di-tert-butyl-4-mercaptophenol insert ignore into journalissuearticles values(1);, 2,6-di-tert-butyl-4-insert ignore into journalissuearticles values(3-mercaptopropyl);phenol insert ignore into journalissuearticles values(2);, bis-3-[3,5-di-tert-butyl-4-hydroxyphenyl);propyl] sulfide insert ignore into journalissuearticles values(3);, bisinsert ignore into journalissuearticles values(3,5-di-tert- butyl-4-hydroxyphenyl); disulfide insert ignore into journalissuearticles values(4);, diphenyl disulfide insert ignore into journalissuearticles values(5);, dibenzyl disulfide insert ignore into journalissuearticles values(6);, dibutyl disulfide insert ignore into journalissuearticles values(7);, di-tert-butyl disulfide insert ignore into journalissuearticles values(8);, diallyl disulfide insert ignore into journalissuearticles values(9);, and methyl propyl trisulfide insert ignore into journalissuearticles values(10); could possess antioxidant activity and act as active scavengers of oxygen metabolites. The antiradical activity of these species was analyzed and it was shown that they were able to react with electrochemically generated the superoxide anion radical. The rate constants for reactions of 1-10 with the superoxide anion radical were calculated. The effect of the organic sulfur compounds on the rate of generation O$_{2}^{-\bullet }$ on adrenaline oxidation in an alkaline medium and on the ability of the biopreparation, based on the liver of Russian sturgeon, to deactivate O$_{2}^{-\bullet \, }$was studied. The effect of the organic sulfur compounds on the rate of O$_{2}^{-\bullet }$ generation in the model system of the quinoid oxidation of adrenaline in an alkaline medium and on the ability of the biopreparation to deactivate O$_{2}^{-\bullet }$ was studied. It was found that O$_{2}^{-\bullet }$ generation rate decreased in the presence of the studied compounds, evidencing for their antiradical activity. Increase of superoxide dismutation activity of the biopreparation in the presence of compounds 1-10 was also shown, and this fact could indicate their ability to increase the antioxidant status and decrease the probability of oxidative stress development. It was found that compounds 1-10 did not inhibit enzyme lipoxygenase, which indicated the absence of antiinflammatory activity. The results of the forecast were consistent with the data of the experimental studies.
Keywords : Organic sulfur containing compounds, superoxide anion radical, superoxide dismutase, in silico, cyclic voltammetry, in vitro