In the present study, nucleophilic properties of adenine and guanine are examined by
means of density functional theory. H+ is used as a model electrophile. Two modes of H+ …

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 …

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 …

Methyldiazonium ion () is an ultimate carcinogen that can methylate multiple sites in
DNA/RNA. In present contribution, density functional theory calculations using the B3LYP …

Anticancer drugs such as temozolomide (TMZ) and decarbazine (DTIC) and several
detrimental methylating agents methylate DNA via the formation of methyldiazonium ion () …

Abstract Density Functional Theory calculations at the B3LYP-D3/6-311+ G* level of theory
yield for the methylation of adenine by the carcinogenic methane diazonium ion at the N3 …

DNA methylation and hydroxylation are two ubiquitous reactions in DNA damage induction,
yet insights are scarce concerning the free energy of activation within B-DNA. We resort to …

We study here theoretically the methylation reactions of CH3N+ 2 at the N7 site of guanine
of the deoxyguanylate (deoxyguanosine 5'-monophosphate (dGMP)) and deoxyguanylate …

Abstract The C8-methylguanine (C8mG) lesions are reported to be produced in vivo due to
methylation of guanine base of DNA by methyl free (· CH 3) radicals derived from the …

We study here theoretically the methylation reactions of CH3N2+ at the N7 site of guanine of
the deoxyguanylate (deoxyguanosine 5'-monophosphate (dGMP)) and guanylate …