Утворення комплексiв молекул пероксиду водню з ДНК

A possibility for hydrogen peroxide molecules to form stable complexes with atomic groups in the DNA backbone under the irradiation of the cell medium with high-energy ions has been studied. The energy of complexes is estimated, by taking the electrostatic and van der Waals interactions into account...

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Bibliographic Details
Date:2019
Main Authors: Piatnytskyi, D. V., Zdorevsky, O. O., Perepelytsya, S. M., Volkov, S. N.
Format: Article
Language:English
Ukrainian
Published: Publishing house "Academperiodika" 2019
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Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019102
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Journal Title:Ukrainian Journal of Physics

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Ukrainian Journal of Physics
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Summary:A possibility for hydrogen peroxide molecules to form stable complexes with atomic groups in the DNA backbone under the irradiation of the cell medium with high-energy ions has been studied. The energy of complexes is estimated, by taking the electrostatic and van der Waals interactions into account in the framework of the atom-atom potential function method. The interaction with metal counterions, which neutralize the surface charge of a macromolecule under natural conditions, is also taken into consideration. Stable configurations are determined for various complexes consisting of the atoms belonging to a DNA phosphate group, H2O2 and H2O molecules, and a Na+ metal ion. The complexes of hydrogen peroxide molecules with DNA phosphate groups and a counterion are shown to be not less stable than their complexes with water molecules. The attachment of an H2O2 molecule to a phosphate group of the double helix backbone can block the processes of DNA biological functioning and can deactivate the genetic mechanism of a cell.