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Oxidation of modified DNA nucleobases. computational study
Oxidation of modified DNA nucleobases. computational study
In this work, the oxidizing properties of oxygen-centered radicals and the reducing properties of epigenetically modified DNA bases were studied. Special attention was paid to the equilibrium of the hydration reaction of 5-formylcytosine, because the corresponding hydrate product can be very easily oxidized. All this together allowed us to propose and thermodynamically evaluate the mechanism of the 1,5-Dimethylcytosine autoxidation reaction.
epigenetics, nucleobases, radicals, computational chemistry, DFT
Korotenko, Vasilii
2023
English
Universitätsbibliothek der Ludwig-Maximilians-Universität München
Korotenko, Vasilii (2023): Oxidation of modified DNA nucleobases: computational study. Dissertation, LMU München: Faculty of Chemistry and Pharmacy
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Abstract

In this work, the oxidizing properties of oxygen-centered radicals and the reducing properties of epigenetically modified DNA bases were studied. Special attention was paid to the equilibrium of the hydration reaction of 5-formylcytosine, because the corresponding hydrate product can be very easily oxidized. All this together allowed us to propose and thermodynamically evaluate the mechanism of the 1,5-Dimethylcytosine autoxidation reaction.