Structure-based design of selective high-affinity telomeric quadruplex-binding ligandsElectronic supplementary information (ESI) available: Details of synthetic chemistry, molecular modelling, electrospray mass spectroscopy and results of ESI-MS competition experiments. See DOI: 10.1039/c0cc02917c

A library of triazole-based telomeric quadruplex-selective ligands has been developed that mimic an established family of tri-substituted acridine-based ligands, using crystal structure data as a starting-point for computer-based design. Binding affinities, estimated by electrospray mass spectrometry, are in accord with the design concept. A library of triazole-based telomeric quadruplex-selective ligands is reported that mimics an established family of acridine-based ligands, using structure-based design. Binding affinities, estimated by electrospray mass spectrometry, are in accord with the design concept.