TY - JOUR

T1 - Structure an Hybriization Properties of Glycine Morpholine Oligomers in Complexes with DNA an RNA

T2 - Experimental and Molecular Dynamics Studies

AU - Golyshev, Victor M.

AU - Abramova, Tatyana V.

AU - Pyshnyi, Dmitrii V.

AU - Lomzov, Alexaner A.

PY - 2019/12/19

Y1 - 2019/12/19

N2 - 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.

AB - 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.

KW - NUCLEIC-ACIDS

KW - BASE COMPOSITION

KW - HYBRID DUPLEXES

KW - FREE-ENERGIES

KW - FORCE-FIELD

KW - PARAMETERS

KW - CONFORMATIONS

KW - STABILITY

KW - ADENINE

KW - THYMINE

UR - http://www.scopus.com/inward/record.url?scp=85076441496&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcb.9b07148

DO - 10.1021/acs.jpcb.9b07148

M3 - Article

C2 - 31714087

AN - SCOPUS:85076441496

VL - 123

SP - 10571

EP - 10581

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 50

ER -