Literature DB >> 26219928

A novel conception for spontaneous transversions caused by homo-pyrimidine DNA mismatches: a QM/QTAIM highlight.

Ol'ha O Brovarets'1, Dmytro M Hovorun.   

Abstract

We have firstly shown that the T·T(w) and C·C(w) DNA mismatches with wobble (w) geometry stay in slow tautomeric equilibrium with short T·T*(WC) and C·C*(WC) Watson-Crick (WC) mispairs. These non-dissociative tautomeric rearrangements are controlled by the plane-symmetric, highly stable, highly polar and zwitterionic transition states. The obtained results allow us to understand in what way the T·T(w) and C·C(w) mismatches acquire enzymatically competent T·T*(WC) and C·C*(WC) conformations directly in the hydrophobic recognition pocket of a high-fidelity DNA-polymerase, thereby producing thermodynamically non-equilibrium spontaneous transversions. The simplest numerical estimation of the frequency ratio of the TT to CC spontaneous transversions satisfactorily agrees with experimental data.

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Year:  2015        PMID： 26219928     DOI： 10.1039/c5cp03211c

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


  11 in total

1.  The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rwWC)/A·T*(wH)/A·T*(rwH) mutagenic tautomerization via sequential proton transfer: a QM/QTAIM study.

Authors:  Ol'ha O Brovarets'; Kostiantyn S Tsiupa; Dmytro M Hovorun
Journal:  RSC Adv       Date:  2018-04-10       Impact factor: 4.036

2.  Effects of Environmental Factors and Metallic Electrodes on AC Electrical Conduction Through DNA Molecule.

Authors:  S Abdalla; A Obaid; F M Al-Marzouki
Journal:  Nanoscale Res Lett       Date:  2017-04-27       Impact factor: 4.703

3.  Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex.

Authors:  Hehua Liu; Chen Cai; Phensinee Haruehanroengra; Qingqing Yao; Yiqing Chen; Chun Yang; Qiang Luo; Baixing Wu; Jixi Li; Jinbiao Ma; Jia Sheng; Jianhua Gan
Journal:  Nucleic Acids Res       Date:  2017-03-17       Impact factor: 16.971

4.  Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs.

Authors:  Ol'ha O Brovarets'; Kostiantyn S Tsiupa; Dmytro M Hovorun
Journal:  Front Chem       Date:  2018-02-27       Impact factor: 5.221

5.  Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.

Authors:  Ol'ha O Brovarets'; Kostiantyn S Tsiupa; Dmytro M Hovorun
Journal:  PLoS One       Date:  2018-06-27       Impact factor: 3.240

6.  Unexpected Routes of the Mutagenic Tautomerization of the T Nucleobase in the Classical A·T DNA Base Pairs: A QM/QTAIM Comprehensive View.

Authors:  Ol'ha O Brovarets'; Kostiantyn S Tsiupa; Andrii Dinets; Dmytro M Hovorun
Journal:  Front Chem       Date:  2018-11-27       Impact factor: 5.221

7.  A Quantum-Mechanical Looking Behind the Scene of the Classic G·C Nucleobase Pairs Tautomerization.

Authors:  Ol'ha O Brovarets'; Alona Muradova; Dmytro M Hovorun
Journal:  Front Chem       Date:  2020-11-26       Impact factor: 5.221

8.  Non-dissociative structural transitions of the Watson-Crick and reverse Watson-Crick А·Т DNA base pairs into the Hoogsteen and reverse Hoogsteen forms.

Authors:  Ol'ha O Brovarets'; Kostiantyn S Tsiupa; Dmytro M Hovorun
Journal:  Sci Rep       Date:  2018-07-10       Impact factor: 4.379

Review 9.  The Role of Proton Transfer on Mutations.

Authors:  Ruby Srivastava
Journal:  Front Chem       Date:  2019-08-21       Impact factor: 5.221

10.  Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantum-Mechanical Survey.

Authors:  Ol'ha O Brovarets'; Timothy A Oliynyk; Dmytro M Hovorun
Journal:  Front Chem       Date:  2019-09-18       Impact factor: 5.221
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