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Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations
[Image: see text] The effect of the environment on the guanine redox potential is studied by means of a theoretical–computational approach. Our data, in agreement with previous experimental findings, clearly show that the presence of consecutive guanine bases in both single- and double-stranded DNA...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289878/ https://www.ncbi.nlm.nih.gov/pubmed/35671051 http://dx.doi.org/10.1021/acs.jpcb.2c02391 |
Sumario: | [Image: see text] The effect of the environment on the guanine redox potential is studied by means of a theoretical–computational approach. Our data, in agreement with previous experimental findings, clearly show that the presence of consecutive guanine bases in both single- and double-stranded DNA oligomers lowers their reduction potential. Such an effect is even more marked when a G-rich quadruplex is considered, where the oxidized form of guanine is particularly stabilized. To the best of our knowledge, this is the first computational study reporting on a quantitative estimate of the dependence of the guanine redox potential on sequence and conformational effects in complex DNA molecules, ranging from single-stranded DNA to G-quadruplex. |
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