oh radical dna

The effect of solvation on the mechanism is also revealed by performing the same DFT calculations under the continuum. A comprehensive survey of the main available data on both structural and mechanistic aspects of OH -induced decomposition pathways of both purine.

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Properties of the base radical cations have been studied in model systems using SO4- radical to oxidize the.

. Calf thymus DNA was selected for the investigation since this natural oligonucleotide is often used in examination of drugDNA interactions. Cell killing by ionizing radiation has been shown to be caused by hydroxyl free radicals formed by water radiolysis. We present a detailed CarParrinello molecular dynamics study of DNA bases in explicit water interacting with an OH radical.

In order to elucidate the indirect effect by radiation on DNA base pairs we investigate the mechanism for the attacking reaction of a hydroxyl radical OH-radical to the G-C and A-T base pairs by the density functional theory DFT calculations. Abstract H-atom from DNA sugar backbone or proteins. It is produced from Fenton reaction among O 2 and H 2 O 2 at standard temperature and neutral pH in the presence of transition metals Fe 2 and Fe 3 Das and Roychoudhury 2014.

2008 2009 reacts selectively with guanine components at the exclusion of other nucleobases and the 2-deoxyribose moiety Ravanat et al. We present a detailed Car - Parrinello molecular dynamics study of DNA bases in explicit water interacting with an OH radical. In order to elucidate the indirect effect by radiation on DNA base pairs we investigate the mechanism for the attacking reaction of a hydroxyl radical OH-radical to the G-C and A-T base pairs by the density functional theory DFT calculations.

We have previously suggested that the killing is not caused by individual OH free radicals but by the interaction of volumes of high radical density with DNA to cause locally multiply damaged sites LMDS J. Examination of the attack of OH radicals produced in the Fenton way on DNA molecules is important from biological biochemical and biosensor points of view. Beam-irradiated DNA 6 was reported in X-irradiated DNA 4 and was found as 5 of the total radical popu-lation in ESR studies of y-irradiated crystalline oligonucle-otides at low temperatures 7.

Our data support the idea that OH is the radical species primarily responsible for the indirect effect in radiation injury measured as DNA single-strand breaks or cell killing and that H and esup -sub aq are not significantly. With the lowest oxidation potential among all the nucleobases guanine G is extremely redox-active and plays central roles in the processes of DNA oxidative damage 1 2 and DNA charge transfer 3 5. Our findings indicate that the specific mechanisms of the initial phase of DNA damage are different in thymine and guanine which is consistent with experiment-based conjectures on this subject.

Singlet oxygen 1O2 a major contributor of the UVA radiation-mediated oxidation reactions to cellular DNA through a type II photosensitization mechanism Cadet et al. To understand the effect of chemical radicals on DNA base pairs we investigate the mechanism for the reaction of a hydroxyl radical to the GC and AT base pairs by the density functional theory DFT calculations. The hydroxyl radical OH the quintessential reactive oxygen species is the mediator of much of the DNA damage caused by ionizing radiation.

In cell killing the OH radical life time was estimated to be about 87 x 10sup -9 sec which gives an average diffusion distance for this radical of about 93 A. Examination of them by ESR spectroscopy and UV photospectrometry showed that spin adducts assigned to C5 and C6 radicals due to OH addition to the 56 double-bond a deaminated form of the spin adduct derived from a C5 radical due to the cyclization reaction between C5 of the sugar and C6 of the base and a spin adduct assigned to the C4 radical due. Our findings indicate that the specific mechanisms of the initial phase of DNA damage are different in thymine and guanine which is consistent with experiment-based conjectures on this subject.

OH 2 hydroxyl radical addition to unsaturated bonds OH eg. The hydroxyl radical OH the quintessential reactive oxygen species is the mediator of much of the DNA damage caused by ionizing radiation 1. Upon the interaction of photoexcitation 6 8 or under the attack of potent radical oxidants 1 2 9 13 G is subject to a facile loss of an electron and forms a cation.

Modified purine and pyrimidine bases constitute one of the major classes of hydroxyl-radical-mediated DNA damage together with oligonucleotide strand breaks DNA-protein cross-links and abasic sites. This damage includes strand breaks which are initiated by abstraction of a. In the solvated environment.

HYDROXYL RADICAL INDUCED DNA STRAND BREAKS 385 Radiolabeling. This damage includes strand breaks which are initiated by abstraction of a deoxyribose hydrogen atom by the hydroxyl radical. There are a variety of potential pathways and end products.

In the living cell ionizing radiation can cause DNA damage by the direct effect ionization of DNA and the indirect effect reaction of radicals formed in the neighborhood of DNA with DNA eg OH eaq- H protein- and glutathione-derived radicals. So that the radioactivity is representative of the entire genomic DNA content it is important that the cellular DNA be uniformly labeled. The high reactivity of the OH-radical is attributed to the possible pairing of two electrons having the opposite spin which come from the OH-radical and the target molecule.

Hydroxyl radical OH is the most reactive and deadliest among other ROS members. We find that radical. The effect of solvation on the mechanism is also presented by the same DFT calculations under the continuum solvation model.

Production of these back-bone radicals from indirect type effects through hydrogen abstraction by the OH radical is well known 3 8. Particularly useful was the coherent application of five techniques. The most common form of DNA damage is caused by the highly reactive OH radical that reacts with DNA via an addition to the double bonds of DNA bases and abstraction of a hydrogen atom from the methyl group of thymine andor the C-H bonds of 2-deoxyribose.

The effect of solvation on the mechanism is also revealed by performing the same DFT calculations under the continuum. OH-radical 6 it is generated only with- in 1 nm from the surface of the DNA duplex and can re- move a hydrogen ion to form a water molecule. Adds to DNA bases and biomolecules containing double.

Labeling of cells was performed as described previously 18.

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