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Please use this identifier to cite or link to this item: http://repo.knmu.edu.ua/handle/123456789/18133
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dc.contributor.authorSyrovaya, Anna-
dc.contributor.authorKozub, Svitlana-
dc.contributor.authorTishakova, Tatyana-
dc.contributor.authorLevashova, Olga-
dc.contributor.authorChalenko, Natalia-
dc.date.accessioned2017-11-13T22:24:14Z-
dc.date.available2017-11-13T22:24:14Z-
dc.date.issued2017-
dc.identifier.citationInvestigation of quantum-chemical properties of indomethacin / A. O. Syrovaya, S. N. Kozub, T. S. Tishakova, O. L. Levashova, N. N. Chalenko // The scientific heritage. – 2017. – N 16 (16). – P. 11–15.ru_RU
dc.identifier.urihttps://repo.knmu.edu.ua/handle/123456789/18133-
dc.description.abstractThe quantum-chemical properties of indomethacin were determined. These properties are very important for understanding explanation the causes of the manifestation of certain biological effects. The geometry optimization for indomethacin molecule was performed by PM3 method, Polak-Ribiere algorithm. Pharmacological activity of a molecule depends not only on the character and sequence of atoms, but also on their spatial distribution in the molecule, atomic charges, position of the functional groups and active radicals, quantum-chemical properties.ru_RU
dc.language.isoenru_RU
dc.subjectIndomethacinru_RU
dc.subjectspatial structureru_RU
dc.subjectquantum-chemical propertiesru_RU
dc.titleInvestigation of quantum-chemical properties of indomethacinru_RU
dc.typeArticleru_RU
Appears in Collections:Наукові праці. Кафедра медичної та біоорганічної хімії

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