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

Date

2012

Authors

Corry, Ben
Smith, Nicole

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

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.

Description

Keywords

Keywords: acridine; adenine nucleotide; guanine quadruplex; thiophene; article; binding kinetics; binding site; chemical interaction; DNA structure; fluorescence resonance energy transfer; ligand binding; molecular dynamics; molecular model; simulation; structure a

Citation

Source

Chemical Communications

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

Restricted until

2037-12-31