Structure-based design of selective high-affinity telomeric quadruplex-binding ligands

Lombardo, C. M., Martínez, I. S., Haider, S., Gabelica, V., De Pauw, E., Moses, J. E., Neidle, S. (December 2010) Structure-based design of selective high-affinity telomeric quadruplex-binding ligands. Chem Commun (Camb), 46 (48). pp. 9116-8. ISSN 1359-7345

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.

Item Type: Paper
Uncontrolled Keywords: Acridines Computer Simulation Drug Design *G-Quadruplexes Ligands Small Molecule Libraries Spectrometry, Mass, Electrospray Ionization Structure-Activity Relationship Telomere/*chemistry Triazoles/*chemistry
Communities: CSHL labs > Moses lab
Highlight: Moses, John E.
Depositing User: Matthew Dunn
Date: 28 December 2010
Date Deposited: 19 Apr 2021 20:22
Last Modified: 19 Apr 2021 20:22
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