Conformational stabilities of iminoallantoin and its base pairs in DNA: implications for mutagenicity

NR Jena, M Bansal, PC Mishra - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
The types of mutations induced by oxidatively damaged products of DNA are continuously in
debate. For example, some biochemical studies have proposed that guanidinohydantoin …

Does tautomerization of FapyG influence its mutagenicity?

NR Jena, AE Mark, PC Mishra - ChemPhysChem, 2014 - Wiley Online Library
Oxidative degradation of guanine to 2, 6‐diamino‐4‐oxo‐5‐formamidopyrimidine (FapyG) is
believed to be mutagenic. It has been proposed recently that the enol tautomer of FapyG is …

The R-and S-diastereoisomeric effects on the guanidinohydantoin-induced mutations in DNA

NR Jena, V Gaur, PC Mishra - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Direct and indirect oxidation of guanine in DNA produces guanidinohydantoin (Gh), which is
capable of inhibiting replication and inducing mutations during cellular activities. Although …

H2O3 as a Reactive Oxygen Species:  Formation of 8-Oxoguanine from Its Reaction with Guanine

PK Shukla, PC Mishra - The Journal of Physical Chemistry B, 2007 - ACS Publications
Reaction of guanine with H2O3 in the absence and presence of a water molecule leading to
the formation of 8-oxoguanine (8-oxoG) was investigated. Initial calculations were performed …

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 …

Ground-and excited-state proton transfer and rotamerism in 2-(2-Hydroxyphenyl)-5-phenyl-1, 3, 4-oxadiazole and Its O/“NH or S”-substituted derivatives

Z Yang, S Yang, J Zhang - The Journal of Physical Chemistry A, 2007 - ACS Publications
The intramolecular proton-transfer process, rotational process, and optical properties of 2-(2-
hydroxyphenyl)-5-phenyl-1, 3, 4-oxadiazole (HOXD) and its O/“NH”-and O/“S”-substituted …

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 …

Quantum theoretical study of cleavage of the glycosidic bond of 2′-deoxyadenosine: base excision-repair mechanism of DNA by MutY

S Tiwari, N Agnihotri, PC Mishra - The Journal of Physical …, 2011 - ACS Publications
The enzyme adenine DNA glycosylase, also called MutY, is known to catalyze base excision
repair by removal of adenine from the abnormal 2′-deoxyadenosine: 8-oxo-2 …

The DNA repair protein NBS1 influences the base excision repair pathway

D Sagan, R Müller, C Kröger, A Hematulin… - …, 2009 - academic.oup.com
NBS1 fulfills important functions for the maintenance of genomic stability and cellular
survival. Mutations in the NBS1 (Nijmegen Breakage Syndrome 1) gene are responsible for …

A theoretical study of some new analogues of the anti-cancer drug camptothecin

NR Jena, PC Mishra - Journal of Molecular Modeling, 2007 - Springer
The enzyme topoisomerase I (topo I), which is essential for cell replication, transiently
causes a DNA single strand break and makes a complex with it. The anti-cancer agent …