Formation of ring-opened and rearranged products of guanine: mechanisms and biological significance

NR Jena, PC Mishra - Free Radical Biology and Medicine, 2012 - Elsevier
DNA damage by endogenous and exogenous agents is a serious concern, as the damaged
products can affect genome integrity severely. Damage to DNA may arise from various …

Recent advances in the chemistry of hydrogen trioxide (HOOOH)

J Cerkovnik, B Plesnicar - Chemical Reviews, 2013 - ACS Publications
The chemistry of organic polyoxides (ROOOH, alkyl hydrotrioxides; ROOOR, dialkyl
trioxides) has been reviewed rather exhaustively. 1 However, only small parts of these …

Modeling the activity of glutathione as a hydroxyl radical scavenger considering its neutral non-zwitterionic form

A Yadav, PC Mishra - Journal of molecular modeling, 2013 - Springer
Glutathione is an immensely important antioxidant, particularly in the central nervous
system. The scavenging mechanism of glutathione towards the OH radical was studied …

Modeling the scavenging activity of ellagic acid and its methyl derivatives towards hydroxyl, methoxy, and nitrogen dioxide radicals

MK Tiwari, PC Mishra - Journal of molecular modeling, 2013 - Springer
The reaction mechanisms involved in the scavenging of hydroxyl (OH·), methoxy (OCH 3·),
and nitrogen dioxide (NO 2·) radicals by ellagic acid and its monomethyl and dimethyl …

Computational study of the pH-dependent competition between carbonate and thymine addition to the guanine radical

SP Hebert, HB Schlegel - Chemical Research in Toxicology, 2018 - ACS Publications
When oligonucleotides are oxidized by carbonate radical, thymine and carbonate can add to
guanine radical, yielding either a guanine-thymine cross-link product (G∧ T) or 8-oxo-7, 8 …

Carbonate radical anion as an efficient reactive oxygen species: Its reaction with guanyl radical and formation of 8-oxoguanine

A Yadav, PC Mishra - Chemical Physics, 2012 - Elsevier
Mechanisms of reactions of four different tautomers (G (-H1)·, G (-H2a)·, G (-H2b)· and G (-
H9)·) of guanyl radical with carbonate radical anion (CO3.−) producing the mutagenic …

Interplay between hydroxyl radical attack and H-bond stability in guanine–cytosine

JP Cerón-Carrasco, D Jacquemin - RSC advances, 2012 - pubs.rsc.org
We combine ONIOM simulations with an elaborated hydrated DNA model to evaluate the
effects of the hydroxyl radical, one of the major products in irradiated cells, on the stability of …

Reactions of the OOH radical with guanine: mechanisms of formation of 8-oxoguanine and other products

N Kumar, PK Shukla, PC Mishra - Chemical Physics, 2010 - Elsevier
The mutagenic product 8-oxoguanine (8-oxoGua) is formed due to intermediacy of peroxyl
(OOR) radicals in lipid peroxidation and protein oxidation-induced DNA damage. The …

Dihydrogen Trioxide Clusters, (HOOOH)n (n = 2−4), and the Hydrogen-Bonded Complexes of HOOOH with Acetone and Dimethyl Ether: Implications for the …

S Kovačič, J Koller, J Cerkovnik… - The Journal of …, 2008 - ACS Publications
Hydrogen-bonded gas-phase molecular clusters of dihydrogen trioxide (HOOOH) have
been investigated using DFT (B3LYP/6-311++ G (3df, 3pd)) and MP2/6-311++ G (3df, 3pd) …

Computational study of the formation of C8, C5, and C4 guanine: lysine adducts via oxidation of guanine by sulfate radical anion

B Thapa, SP Hebert, BH Munk… - The Journal of …, 2019 - ACS Publications
Oxidative damage to DNA can lead to DNA–protein cross-links which can interfere with DNA
transcription, replication, and repair. In experimental studies modeling oxidative damage to …