title: Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC(3).
abstract: Phen-DC3 is a highly promising compound that specifically targets G-quadruplexes, with potent biological effects observed in vivo. We used NMR spectroscopy to solve the structure of the complex formed between Phen-DC3 and an intramolecular G-quadruplex derived from the c-myc promoter. Structural information revealed that Phen-DC3 interacts with the quadruplex through extensive π-stacking with guanine bases of the top G-tetrad. On the basis of our structure, modifications are proposed for the development of this compound for selective targeting of a specific G-quadruplex conformation.
authors.affiliation: School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore).
authors.forename: Wan Jun
authors.initials: WJ
authors.lastname: Chung
authors.forename: Brahim
authors.initials: B
authors.lastname: Heddi
authors.forename: Florian
authors.initials: F
authors.lastname: Hamon
authors.forename: Marie-Paule
authors.initials: MP
authors.lastname: Teulade-Fichou
authors.forename: Anh Tuân
authors.initials: AT
authors.lastname: Phan
mesh_terms: D001665:Binding Sites; D004247:DNA / Q000737:chemistry*; D054856:G-Quadruplexes; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D011806:Quinolinium Compounds / Q000737:chemistry*; D012996:Solutions
chemical_list: D011806:Quinolinium Compounds; D012996:Solutions; D004247:DNA
keywords: G-quadruplex DNA; NMR spectroscopy; bisquinolinium ligands; drug design; π interactions