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Possible Mechanisms of 4-Hexylresorcinol Influence on DNA and DNA–Dps Nanocrystals Affecting Stress Sustainability of Escherichia coliстатья
- Авторы: Tereshkin E.V., Loiko N.G., Tereshkina K.B., Kovalenko V.V., Krupyanskii Y.F.
- Журнал: Russian Journal of Physical Chemistry B
- Том: 16
- Номер: 4
- Год издания: 2022
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 726
- Последняя страница: 737
- DOI: 10.1134/S1990793122040285
- Аннотация: In this work, the molecular mechanisms of the interaction of the phenolic lipid 4-hexylresorcinol (4HR) with DNA and DNA–Dps nanocrystals were studied by the methods of molecular dynamics in the full-atomic approximation. It has been shown that low concentrations of 4HR stabilize DNA, while high concentrations under dehydration conditions lead to its degradation by chain separation. The interaction of 4HR with the Dps and DNA leads to the rearrangement of the DNA–Dps complexes. On the surface of singlelayer crystals of the Dps protein, multilayer DNA–4HR complexes are formed. The free energies of DNA binding to Dps were determined by the method of calculating the linear interaction energy. It has been shown that 4HR can modulate the DNA-binding and ferroxidase activity of the Dps protein. The results obtained by molecular dynamics methods are consistent with the data from in vivo experiments using the strain BL21- Gold(DE3)/pET-Dps of Escherichia coli. It has been shown that the viability and stress sustainability of bacteria directly depend on the concentration of both 4HR and Dps protein in cells.
- Добавил в систему: Терешкина Ксения Борисовна