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

Ben Corry; Nicole M. Smith

doi:10.1039/c2cc32240d

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

Ben Corry^*, Nicole M. Smith

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

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.

Original language	English
Pages (from-to)	8958-8960
Number of pages	3
Journal	Chemical Communications
Volume	48
Issue number	71
DOIs	https://doi.org/10.1039/c2cc32240d
Publication status	Published - 8 Aug 2012

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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.",

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AB - 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.

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JO - Chemical Communications

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

Abstract

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