Methylation of graphene (pristine and S-doped) by carcinogenic methane diazonium ion: a DFT study
Herein, we aim to explore the efficiency of graphene in scavenging the carcinogenic
methane diazonium ions (CH3N2+) which are capable of methylating DNA and other …
methane diazonium ions (CH3N2+) which are capable of methylating DNA and other …
Role of graphene in scavenging methyl cations: a DFT study
Context It is known that methylating agents methylate DNA by transferring a methyl cation
(CH3+) to the nucleophilic sites in DNA bases and DNA methylation is implicated in cancer …
(CH3+) to the nucleophilic sites in DNA bases and DNA methylation is implicated in cancer …
O6-methylguanine repair by O6-alkylguanine-DNA alkyltransferase
O6-Alkylguanine-DNA alkyltransferase (AGT) repairs O6-methylguanine (O6mG) in DNA
that is known to cause mutation and cancer. On the basis of calculations performed using …
that is known to cause mutation and cancer. On the basis of calculations performed using …
QM/MM Study on the Reaction Mechanism of O6-Alkylguanine−DNA Alkyltransferase
Q Hou, L Du, J Gao, Y Liu, C Liu - The Journal of Physical …, 2010 - ACS Publications
Combined quantum-mechanical/molecular-mechanical (QM/MM) approaches have been
applied to investigate the detailed reaction mechanism of human O6-alkylguanine− DNA …
applied to investigate the detailed reaction mechanism of human O6-alkylguanine− DNA …
Repair of O6-methylguanine to guanine by cysteine in the absence and presence of histidine and by cysteine thiolate anion: a quantum chemical study
O6-methylguanine (O6mG) is known to be a potential mutagenic modification of guanine as
it mispairs with thymine in DNA and causes GC to AT transversion mutation. It is …
it mispairs with thymine in DNA and causes GC to AT transversion mutation. It is …
A quantum chemical study of reactions of DNA bases with sulphur mustard: a chemical warfare agent
Reactions of the sulphonium ion of sulphur mustard (SM+ 1) at the N7, N3 and O6 sites of
guanine, N7, N3 and N1 sites of adenine, O2 and N3 sites of cytosine and O2 and O4 sites …
guanine, N7, N3 and N1 sites of adenine, O2 and N3 sites of cytosine and O2 and O4 sites …
A quantum theoretical study of reactions of methyldiazonium ion with DNA base pairs
Methylation of the DNA bases in the Watson–Crick GC and AT base pairs by the
methyldiazonium ion was investigated employing density functional and second order …
methyldiazonium ion was investigated employing density functional and second order …
Base pairing patterns of DNA base lesion spiroiminodihydantoin: A DFT study
The DNA base lesion spiroiminodihydantoin (Sp) is produced in biological systems
endogenously and can cause mutation and cancer. It is considered to be more mutagenic …
endogenously and can cause mutation and cancer. It is considered to be more mutagenic …
Mechanism of methylation of 8-oxoguanine due to its reaction with methyldiazonium ion
Anticancer drugs such as temozolomide (TMZ) and decarbazine (DTIC) and several
detrimental methylating agents methylate DNA via the formation of methyldiazonium ion () …
detrimental methylating agents methylate DNA via the formation of methyldiazonium ion () …
DNA lesions caused by ROS and RNOS: A review of interactions and reactions involving guanine
DNA is constantly attacked by a large number of endogenous and exogenous reactive
oxygen species (ROS), reactive nitrogen oxide species (RNOS), and alkylating agents which …
oxygen species (ROS), reactive nitrogen oxide species (RNOS), and alkylating agents which …