title: Chemical, spectroscopic characterization, DFT studies and antibacterial activities in vitro of a new gold(I) complex with rimantadine.
abstract: A novel gold(I) complex with rimantadine (RTD) was obtained and structurally characterized by a set of chemical and spectroscopic analysis. 1H, 13C and 15N nuclear magnetic resonance (NMR) and infrared (IR) spectroscopic measurements suggest coordination of the ligand to Au(I) through the N atom of the ethanamine group. Theoretical (DFT) calculations confirmed the IR assignments and permit proposing an optimized geometry for the complex. The gold(I)-rimantadine complex (Au-RTD) is soluble in methanol, ethanol, dimethylsulfoxide, acetone and acetonitrile. The preliminary kinetic studies based on UV-vis spectroscopic measurements indicate the stability of the compound in solution. Antibacterial activities of the complex were evaluated by an antibiogram assay. The Au-RTD complex showed an effective in vitro antibacterial activity against the Pseudomonas aeruginosa, Escherichia coli (Gram-negative), and Staphylococcus aureus (Gram-positive) bacterial strains.
authors.affiliation: Bioinorganic and Medicinal Chemistry Research Laboratory, Institute of Chemistry, University of Campinas-UNICAMP, P.O. Box 6154, 13083-970 Campinas, São Paulo, Brazil.
authors.forename: Suelen F
authors.initials: SF
authors.lastname: Sucena
authors.forename: Raphael E F
authors.initials: RE
authors.lastname: Paiva
authors.forename: Camilla
authors.initials: C
authors.lastname: Abbehausen
authors.forename: Ives B
authors.initials: IB
authors.lastname: Mattos
authors.forename: Marcelo
authors.initials: M
authors.lastname: Lancellotti
authors.forename: André L B
authors.initials: AL
authors.lastname: Formiga
authors.forename: Pedro P
authors.initials: PP
authors.lastname: Corbi
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects*; D001424:Bacterial Infections / Q000188:drug therapy; D004926:Escherichia coli / Q000187:drug effects; D006801:Humans; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D050607:Organogold Compounds / Q000737:chemistry* / Q000494:pharmacology*; D011550:Pseudomonas aeruginosa / Q000187:drug effects; D012299:Rimantadine / Q000737:chemistry* / Q000494:pharmacology*; D013055:Spectrophotometry, Infrared; D013211:Staphylococcus aureus / Q000187:drug effects
chemical_list: D000900:Anti-Bacterial Agents; D050607:Organogold Compounds; D012299:Rimantadine