Title: Molecular dynamics simulation to investigate differences in minor groove hydration of HNA/RNA hybrids as compared to HNA/DNA complexes
Authors: De Winter, H ×
Lescrinier, Eveline
Van Aerschot, Arthur
Herdewijn, Piet #
Issue Date: Jun-1998
Publisher: Amer chemical soc
Series Title: Journal of the American Chemical Society vol:120 issue:22 pages:5381-5394
Abstract: Hexitol nucleic acids (HNA) are oligonucleotides built up from natural nucleobases and a phosphorylated 1,5-anhydrohexitol backbone. Molecular associations between HNA and RNA are more stable than between HNA and DNA and between natural nucleic acids (dsDNA, dsRNA, DNA/RNA). H-1 NMR analysis of a HNA dimer confirms the axial orientation of the base moiety with respect to the hexitol ring, and this was used as starting conformation for a molecular dynamics study of HNA/RNA and HNA/DNA duplexes. Both complexes show an A-type geometry and very similar hydrogen bonding patterns between base pairs. The relative stability of HNA/RNA versus HNA/DNA might be explained by a difference in minor groove solvatation.
ISSN: 0002-7863
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Medicinal Chemistry (Rega Institute)
× corresponding author
# (joint) last author

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