Issue 71, 2012

The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA

Abstract

Molecular dynamics simulations were used to investigate the binding of four different 2,4,6-triarylpyridines to G-quadruplex DNA. Both the binding free energies, and the kinetics of binding are required to explain the measured degree of ligand induced stabilisation of the compounds, with bulky substituents having the potential to prevent the ligand from reaching the lowest energy binding site.

Graphical abstract: The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA

Supplementary files

Article information

Article type
Communication
Submitted
28 Mar 2012
Accepted
18 Jul 2012
First published
18 Jul 2012

Chem. Commun., 2012,48, 8958-8960

The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA

B. Corry and N. M. Smith, Chem. Commun., 2012, 48, 8958 DOI: 10.1039/C2CC32240D

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