title: Coordination pattern, solution structure and DNA damage studies of the copper(II) complex with the unusual aminoglycoside antibiotic hygromycin B.
abstract: The aminoglycosidic antibiotic hygromycin B presents a peculiar chemical structure, characterized by two sugar rings joined via a spiro connection. The Cu(ii) complex of hygromycin B in water solution was characterized by (1)H-NMR, UV-Vis, EPR and CD spectroscopy, combined with potentiometric measurements. The spin-lattice relaxation enhancements were interpreted by the Solomon-Bloembergen-Morgan theory, allowing us to calculate copper-proton distances that were used to build a model of the complex by molecular mechanics and dynamics calculations. The fidelity of the proposed molecular model was checked by ROESY maps. Moreover DNA damage by the Cu(ii)-hygromycin B system was also investigated, showing single and double strand scissions exerted by the complex at concentrations in the range 1-5 mM. Addition of either hydrogen peroxide or ascorbic acid to each sample resulted in the shift of the cleavage potency towards lower concentrations of the complex.
authors.affiliation: Department of Chemistry, University of Siena, Via Aldo Moro, 53100, Siena, Italy.
authors.forename: Elena
authors.initials: E
authors.lastname: Gaggelli
authors.forename: Nicola
authors.initials: N
authors.lastname: Gaggelli
authors.forename: Elena
authors.initials: E
authors.lastname: Molteni
authors.forename: Gianni
authors.initials: G
authors.lastname: Valensin
authors.forename: Duccio
authors.initials: D
authors.lastname: Balenci
authors.forename: Magdalena
authors.initials: M
authors.lastname: Wrońska
authors.forename: Wojciech
authors.initials: W
authors.lastname: Szczepanik
authors.forename: Justyna
authors.initials: J
authors.lastname: Nagaj
authors.forename: Jacek
authors.initials: J
authors.lastname: Skała
authors.forename: Małgorzata
authors.initials: M
authors.lastname: Jeżowska-Bojczuk
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D004249:DNA Damage; D006863:Hydrogen-Ion Concentration; D006921:Hygromycin B / Q000737:chemistry*; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D011199:Potentiometry; D011522:Protons; D012996:Solutions; D013057:Spectrum Analysis; D014867:Water / Q000737:chemistry
chemical_list: D000900:Anti-Bacterial Agents; D009942:Organometallic Compounds; D011522:Protons; D012996:Solutions; D014867:Water; D006921:Hygromycin B; D003300:Copper