@article{Kotar:2016:10.1002/anie.201606877,
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 = {http://dx.doi.org/10.1002/anie.201606877},
volume = {55},
year = {2016}
}

Download

TY  - JOUR
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  - http://dx.doi.org/10.1002/anie.201606877
UR  - http://hdl.handle.net/10044/1/39096
VL  - 55
ER  - 

Download