Misincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations

TitleMisincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations
Publication TypeJournal Article
Year of Publication2000
AuthorsHernández, Begoña, Soliva Robert, F. Luque Javier, and Orozco Modesto
JournalNucleic Acids Research
Volume28
Pagination4873-4883
Abstract

A wide range of theoretical methods, including high level ab initio, density functional, self-consistent reaction field, molecular dynamics and thermodynamic integration calculations, have been used to analyze the mutagenic properties of oxanosine. The major tautomeric forms in the gas phase and aqueous solution have been determined. The ability of oxanosine to recognize thymine and cytosine in the gas phase and in the DNA environment has been compared with that of guanine. A physicochemical explanation for the mutagenic properties of oxanosine is suggested.

URLhttp://nar.oxfordjournals.org/content/28/24/4873.abstract
DOI10.1093/nar/28.24.4873
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