Molecular simulation of cyclohexanyl nucleic acid (CNA) duplexes with CNA,DNA and RNA and CNA triloop and tetraloop hairpin structures |
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| Institution: | 1. Department of Food Safety and Quality Control, Research Institute of Food Science and Technology (RIFST), Mashhad, Iran;2. Pharmaceutical Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran;3. Department of Chemistry, Tamkang University, New Taipei City, 25137, Taiwan |
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| Abstract: | As part of a selection strategy for artificial nucleic acids (XNA) (to be considered as potential new information systems in vivo), we have carried out a modelling study on cyclohexanyl nucleic acids (CNA) duplexes and hairpins. CNA may form a duplex as well as hairpin structures, having the carbocyclic nucleosides in the 4C1 conformation (with equatorial basis). The geometry of ds CNA is close to that of a HNA:RNA duplex. We demonstrated that CNA triphosphates function as a substrate for polymerases. Modelling experiments indicate that the monomers are probably presented to the polymerase in the 1C4 conformation. |
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| Keywords: | Cyclohexanyl nucleic acids Molecular modelling Conformational study XNA Hairpin structure |
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