title: NMR based model of human telomeric repeat G-quadruplex in complex with 2,4,6-triarylpyridine family ligand.
abstract: G-quadruplexes (G4) are one of the several different forms of non-canonical DNA structures that can occur in our genome. Their existence is thought to be implicated in important biological functions such as positive and negative transcription regulation or telomeric extension. The human telomeric sequence G4 formed by repetitive nucleotide sequences (T2AG3) at each chromosome end is an important example of intramolecular G4. Knowing the atomic details for different families of ligands targeting G-quadruplex structures hypothetically found in the telomeric repeat it is an important step for rational drug design. Especially if the aim is to prevent or interfere with telomerase extending the 3' end of telomeres. In this study, we report the structure of the complex formed between the telomeric repeat sequence (d[AG3(T2AG3)3]) intramolecular G-quadruplex and the 2,4,6-Triarylpyridine compound. This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio.
authors.affiliation: Univ. Bordeaux, CNRS/Inserm, Laboratoire ARNA, Institut Européen de Chimie et de Biologie (IECB), 2 rue Robert Escarpit 33607, Pessac, France.
authors.forename: Abdelaziz
authors.initials: A
authors.lastname: Kerkour
authors.affiliation: Univ. Bordeaux, CNRS/Inserm, Laboratoire ARNA, Institut Européen de Chimie et de Biologie (IECB), 2 rue Robert Escarpit 33607, Pessac, France.
authors.forename: Jean-Louis
authors.initials: JL
authors.lastname: Mergny
authors.affiliation: Univ. Bordeaux, CNRS/Inserm, Laboratoire ARNA, Institut Européen de Chimie et de Biologie (IECB), 2 rue Robert Escarpit 33607, Pessac, France. Electronic address: g.salgado@iecb.u-bordeaux.fr.
authors.forename: Gilmar F
authors.initials: GF
authors.lastname: Salgado
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry / Q000378:metabolism*; D001665:Binding Sites; D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D015195:Drug Design; D054856:G-Quadruplexes; D006151:Guanosine / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D062105:Molecular Docking Simulation; D011725:Pyridines / Q000737:chemistry / Q000378:metabolism*; D013329:Structure-Activity Relationship; D016615:Telomere / Q000737:chemistry / Q000378:metabolism*
chemical_list: D000970:Antineoplastic Agents; D008024:Ligands; D011725:Pyridines; D006151:Guanosine; D004247:DNA