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

Posted June 8th, 2010 by pschmidtke
TitleMisincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations
Publication TypeJournal Article
Year of Publication2000
AuthorsHernandez, B, Soliva R, Luque FJ, Orozco M
JournalNucleic acids research
Volume28
Issue24
Pagination4873 - 4883
Date Published2000/12/15/
KeywordsBase Pairing; Base Sequence; Computer Simulation; Cytosine/metabolism; DNA/chemistry/genetics/metabolism; Deoxyribonucleosides/chemistry/genetics/metabolism/toxicity; Dimerization; Hydrogen Bonding; Models, Molecular; Mutagenesis/drug effects/genetics; Mutagens/chemistry/metabolism/toxicity; Nitric Oxide/pharmacology; Pliability; Solutions; Thermodynamics; Thymine/metabolism
AbstractA 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.