Mutagenic Effects Induced by the Attack of NO2 Radical to the Guanine-Cytosine Base Pair

Mutagenic Effects Induced by the Attack of NO2 Radical to the Guanine-Cytosine Base Pair

We investigate the attack of the nitrogen dioxide radical (NO2) to the guanine-cytosine (GC) base pair and the subsequent tautomeric reactions able to induce mutations, by means of density functional theory (DFT) calculations. The conducted simulations allow us to identify the most reactive sites of...

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Bibliographic Details
Main Authors: José Pedro eCerón-Carrasco, Alberto eRequena, José eZúñiga, Denis eJacquemin
Format: Article
Language:English
Published: Frontiers Media S.A. 2015-03-01
Series:Frontiers in Chemistry
Subjects:
Density Functional Theory
Computational Chemistry
Induced mutation
Tautomeric equilibria
Proton transfer reaction
Rare tautomers
Online Access:http://journal.frontiersin.org/Journal/10.3389/fchem.2015.00013/full

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