Title
Molecular dynamics simulation to investigate differences in minor groove hydration of HNA/RNA hybrids as compared to HNA/DNA complexes Molecular dynamics simulation to investigate differences in minor groove hydration of HNA/RNA hybrids as compared to HNA/DNA complexes
Author
Faculty/Department
Faculty of Pharmaceutical, Biomedical and Veterinary Sciences. Pharmacy
Publication type
article
Publication
Washington, D.C. ,
Subject
Chemistry
Source (journal)
Journal of the American Chemical Society. - Washington, D.C.
Volume/pages
120(1998) :22 , p. 5381-5394
ISSN
0002-7863
ISI
000074213800004
Carrier
E
Target language
English (eng)
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). (1)H 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.
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