Imperial College London

Prof. Ramon Vilar

Faculty of Natural SciencesDepartment of Chemistry

Professor of Medicinal Inorganic Chemistry



+44 (0)20 7594 1967r.vilar Website




301HMolecular Sciences Research HubWhite City Campus






BibTex format

author = {Kotar, A and Wang, B and Shivalingam, A and Gonzalez-Garcia, J and Vilar, Compte R and Plavec, J},
doi = {10.1002/anie.201606877},
journal = {Angewandte Chemie - International Edition},
pages = {12508--12511},
title = {NMR Structure of a Triangulenium based Long-lived Fluorescence Probe Bound to G-quadruplex},
url = {},
volume = {55},
year = {2016}

RIS format (EndNote, RefMan)

AB - An NMR structural study of the interaction between a small-molecule opticalprobe (DAOTA-M2) and a G-quadruplex from the promoter region of c-myc oncogenedemonstrates their interaction at 1:2 binding stoichiometry. NMR restrained structuralcalculations show that binding of DAOTA-M2 occurs mainly through the π-π stackingbetween the polyaromatic core of the ligand and guanine residues of the outer G-quartets.Interestingly, the binding affinities of DAOTA-M2 to the outer G-quartets of theunimolecular parallel G-quadruplex under study differ by a factor of two. Unrestrained MDcalculations indicate that DAOTA-M2 displays significant dynamic behavior when stackedon a G-quartet plane. These studies provide molecular guidelines for design of trianguleniumderivatives that can be used as optical probes of G-quadruplexes.
AU - Kotar,A
AU - Wang,B
AU - Shivalingam,A
AU - Gonzalez-Garcia,J
AU - Vilar,Compte R
AU - Plavec,J
DO - 10.1002/anie.201606877
EP - 12511
PY - 2016///
SN - 1433-7851
SP - 12508
TI - NMR Structure of a Triangulenium based Long-lived Fluorescence Probe Bound to G-quadruplex
T2 - Angewandte Chemie - International Edition
UR -
UR -
VL - 55
ER -