title: G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes.
abstract: Novel nickel(II) (1) and zinc(II) (2) complexes of a Salen-like ligand, carrying a pyrimidine ring on the N,N' bridge, were synthesized and characterized. Their interaction with duplex and G-quadruplex DNA was investigated in aqueous solution through UV-visible absorption, circular dichroism and viscometry measurements. The results obtained point out that, while the zinc(II) complex does not interact with both duplex and G-quadruplex DNA, the nickel(II) complex 1 binds preferentially to G-quadruplex respect to duplex-DNA, with values of the DNA-binding constants, Kb, 2.6×10(5)M(-1) and 3.5×10(4)M(-1), respectively. Molecular dynamics simulations provided an atomic level model of the top-stacking binding occurring between 1 and hTelo (a 22-mer sequence oligonucleotide) in G-quadruplex conformation.
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy; Istituto EuroMediterraneo di Scienza e Tecnologia, Piazzetta Briuccia, 20-21, 90139, Palermo, Italy.
authors.forename: Riccardo
authors.initials: R
authors.lastname: Bonsignore
authors.affiliation: Institute of Inorganic Chemistry, University of Vienna, Waehringerstr. 42, A-1090 Vienna, Austria; Research Platform "Translational Cancer Therapy Research", University of Vienna and Medical University of Vienna, Vienna, Austria.
authors.forename: Alessio
authors.initials: A
authors.lastname: Terenzi
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy; Istituto EuroMediterraneo di Scienza e Tecnologia, Piazzetta Briuccia, 20-21, 90139, Palermo, Italy.
authors.forename: Angelo
authors.initials: A
authors.lastname: Spinello
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy.
authors.forename: Annamaria
authors.initials: A
authors.lastname: Martorana
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy.
authors.forename: Antonino
authors.initials: A
authors.lastname: Lauria
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy.
authors.forename: Anna Maria
authors.initials: AM
authors.lastname: Almerico
authors.affiliation: Institute of Inorganic Chemistry, University of Vienna, Waehringerstr. 42, A-1090 Vienna, Austria; Research Platform "Translational Cancer Therapy Research", University of Vienna and Medical University of Vienna, Vienna, Austria.
authors.forename: Bernhard K
authors.initials: BK
authors.lastname: Keppler
authors.affiliation: Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy; Istituto EuroMediterraneo di Scienza e Tecnologia, Piazzetta Briuccia, 20-21, 90139, Palermo, Italy. Electronic address: giampaolo.barone@unipa.it.
authors.forename: Giampaolo
authors.initials: G
authors.lastname: Barone
mesh_terms: D004247:DNA / Q000737:chemistry*; D054856:G-Quadruplexes; D008958:Models, Molecular; D009532:Nickel / Q000737:chemistry*; D012545:Schiff Bases / Q000737:chemistry; D015032:Zinc / Q000737:chemistry*
chemical_list: D012545:Schiff Bases; D009532:Nickel; D004247:DNA; D015032:Zinc
keywords: Binding constant; Circular dichroism; Computational chemistry; DNA G-quadruplex, nickel; zinc