New original metabolitotropic endothelioprotector "Angiolin": quantum-chemical parameters and peculiarities of pharmacological action

TitleNew original metabolitotropic endothelioprotector "Angiolin": quantum-chemical parameters and peculiarities of pharmacological action
Publication TypeJournal Article
Year of Publication2017
AuthorsChekman, IS, Kazakova, OA, Mazur, IA, Nagornaya, EA, Belenichev, IF, Gorchakova, NA, Buhtiyarova, NV, Syrova, AO, Dovhan, RS, Zahorodnyi, MI
Abbreviated Key TitleDopov. Nac. akad. nauk Ukr.
DOI10.15407/dopovidi2017.08.086
Issue8
SectionChemistry
Pagination86-93
Date Published8/2017
LanguageUkrainian
Abstract

By means of the density functional theory with the use of the solvation model IEF PCM, the electronic and energetic properties of "Angiolin" are researched. It is established that the equilibrium structure with the lowest level of Gibbs free energy is stabilized by intramolecular oxygen bonds, and the main reaction centers are ionic groups, the groups participating in H- bonds and the heterocycle of thiotriazoline.
Keywordscardiop rotec tive activity, endothelioprotective activity, functional groups, neuroprotective activity, quantum-chemical parameters, “Angiolin”
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