A model study on the stacking interaction of phenanthroline ligand with nucleic acid base pairs: An ab initio, MP2 and DFT studies

Hazarika, Pankaj and Bezbaruah, Bipul and Das, Pranjali and Medhi, Okhil Kumar and Medhi, Chitrani (2011) A model study on the stacking interaction of phenanthroline ligand with nucleic acid base pairs: An ab initio, MP2 and DFT studies. Journal of Biophysical Chemistry, 02 (02). pp. 153-158. ISSN 2153-036X

[thumbnail of JBPC20110200010_33381401.pdf] Text
JBPC20110200010_33381401.pdf - Published Version

Download (392kB)

Abstract

The stacking of phenanthroline(phen) ligand within base pair sequences is one of the important factors for the stabilization of metalphen complex within DNA. The stacking ability of this ligand has been assessed to deduce the base pair selectivity as well as to identify the favored region of intercalation. Different level of theories have been used to predict the favorable regions for stacking interaction of phen ligand with base pair, but the results of MP2/6-31+G(d,p) is found to be reasonably good for monitoring such interactions.

Item Type: Article
Subjects: STM Library > Chemical Science
Depositing User: Managing Editor
Date Deposited: 09 Feb 2023 07:02
Last Modified: 24 Jun 2024 04:14
URI: http://open.journal4submit.com/id/eprint/1011

Actions (login required)

View Item
View Item