The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA
Date
2012
Authors
Corry, Ben
Smith, Nicole
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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.
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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
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Chemical Communications
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Journal article
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2037-12-31
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