Open AccessRationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations
Author(s) -
Alessandro Nicola Nardi,
Alessio Olivieri,
Marco D’Abramo
Publication year - 2022
Publication title -
the journal of physical chemistry. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.864
H-Index - 392
eISSN - 1520-6106
pISSN - 1520-5207
DOI - 10.1021/acs.jpcb.2c02391
Subject(s) - guanine , sequence (biology) , dna , chemistry , crystallography , stereochemistry , biophysics , computational biology , biochemistry , biology , nucleotide , gene
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.