AUTHOREA
Log in Sign Up Browse Preprints
LOG IN SIGN UP
Swarnadeep Biswas
Swarnadeep Biswas
Asstt. Professor
Silchar

Public Documents 1
Effect of N7-methylation on base pairing patterns of guanine: A DFT study
Swarnadeep Biswas
Pradeep Shukla

Swarnadeep Biswas

and 1 more

March 30, 2022
In this paper, we aim to determine whether the N7-methylation can influence the base pairing properties of guanine by promoting the formation of guanine enol-tautomers. The keto-to-enol-tautomerization of N7-methylguanine (N7mG) and its base pairing patterns with all the canonical DNA bases have been investigated at the M06-2X/6-311+G(d,p) level of density functional theory. The barrier free energy calculations reveal that N7-methylation does not promote the keto- to enol-tautomerization of guanine. The Watson-Crick-like enol-N7mG:T1 or enol-N7mG:T2 base pair similar to what is observed experimentally is found to be energetically more stable than the keto-N7mG:T base pairs. However, the keto-N7mG:C1 which is structurally similar to the canonical G:C base pair is the most stable base pair among all the base pairs studied here. Thus, our calculations predict that N7mG would pair preferably with cytosine during DNA replication but there is also a probability that it can cause mutation through mispairing with thymine, in agreement with experimental observations.

| Powered by Authorea.com

  • Home