Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study.

TitleAre the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study.
Publication TypeJournal Article
Year of Publication2005
AuthorsPérez, Alberto, Sponer Jiri, Jurecka Petr, Hobza Pavel, F Luque Javier, and Orozco Modesto
JournalChemistry
Volume11
Pagination5062-6
Date Published2005 Aug 19
ISSN0947-6539
KeywordsDNA, Hydrogen Bonding, Quantum Theory, RNA
Abstract

The intrinsic stability of Watson-Crick d(AT) and r(AU) hydrogen bonds was analyzed by employing a variety of quantum-mechanical techniques, such as energy calculations, determination of reactivity indexes, and analysis of electron density topology. The analyses were performed not only for equilibrium gas-phase geometries, but also on hundreds of conformations derived from molecular dynamics (MD) and database analysis. None of our results support the idea that r(AU) hydrogen bonds are intrinsically more stable than those of d(AT). Instead, our data are in accordance with the traditional view that the greater stability of RNA relative to DNA is attributable to a variety of effects (e.g., stacking, sugar puckering, solvation) rather than to a significant difference in the hydrogen bonding of DNA and RNA base pairs.

DOI10.1002/chem.200500255