title: 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.
authors: Research School of Biology, The Australian National University, Canberra, ACT 0200, Australia. ben.corry@anu.edu.au
authors: Ben
authors: B
authors: Corry
authors: Nicole M
authors: NM
authors: Smith
mesh_terms: D054856:G-Quadruplexes; D007700:Kinetics; D008024:Ligands; D011725:Pyridines / Q000737:chemistry; D013816:Thermodynamics
chemical_list: D008024:Ligands; D011725:Pyridines