Structure an Hybriization Properties of Glycine Morpholine Oligomers in Complexes with DNA an RNA: Experimental and Molecular Dynamics Studies

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Abstract

Methylenecarboxamie (glycine) morpholine oligomers (gMOs) with a moifie backbone are new an promising nucleic aci analogues. In this work, a combination of circular ichroism spectroscopy, optical melting, an molecular ynamics simulations was use to investigate hybriization properties of gMOs, as well as the structure an ynamics of their tanem complexes with DNA an RNA. It was shown that the structure of nucleic acis in moifie complexes is similar to that of the fully native analogues. The energies of bining an cooperative interactions at the helix-helix interface in the nick were etermine experimentally an by computer simulation analysis. Here, we foun for the first time, the possibility to etermine an preict precisely the thermoynamic parameters of complementary complex formation using the original experimental an computer simulation approaches. It was shown that the use of simulation ata in the explicit solvent an the molecular mechanics Poisson-Boltzmann (or generalize Born) surface area methos for the calculation of the hybriization enthalpy makes it possible to evaluate the thermal stability of DNA an gMO tanem uplexes with DNA or RNA with an unexpectely high accuracy. We foun that at high ionic strength an neutral pH, the observe thermal stability of the gMO/RNA tanem complex is similar to that of DNA/DNA an lower than that of gMO/DNA which is close to that of DNA/RNA.

Original languageEnglish
Pages (from-to)10571-10581
Number of pages11
JournalJournal of Physical Chemistry B
Volume123
Issue number50
DOIs
Publication statusPublished - 19 Dec 2019

Keywords

  • NUCLEIC-ACIDS
  • BASE COMPOSITION
  • HYBRID DUPLEXES
  • FREE-ENERGIES
  • FORCE-FIELD
  • PARAMETERS
  • CONFORMATIONS
  • STABILITY
  • ADENINE
  • THYMINE

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