title: Novel silver(I) complexes of coumarin oxyacetate ligands and their phenanthroline adducts: Biological activity, structural and spectroscopic characterisation.
abstract: Novel silver(I) complexes of coumarin oxyacetate ligands and their phenanthroline adducts have been prepared and characterised by microanalytical data and spectroscopic techniques (IR,1H,13C NMR, UV-Vis). The crystal structure of one Ag(I) complex was determined by X-ray diffraction analysis. The experimental spectroscopic data have been interpreted on the basis of molecular structure modeling and subsequent spectra simulation with density functional theory method. The binding modes of the coumarins and phenanthroline ligands (monodentate, bidentate, bridging) to Ag(I) have been theoretically modelled and discussed as to the most probable ligand binding in the series of complexes studied. The antimicrobial and antifungal activities have been determined and the complexes were found to have mostly moderate antibacterial activity but some of the phenanthroline adducts were found to have antifungal activity against the clinically important fungus C. albicans, comparable to that of the commercial agents, Amphotericin B and Ketoconazole. Preliminary investigations into the possible mechanism of action of the silver complexes indicated that they did not interact with DNA via nuclease activity or intercalation but the ability to act as a superoxide dismutase mimetic may be related to their antimicrobial activity.
authors: Centre of Applied Science for Health, Institute of Technology Tallaght, Dublin 24, Ireland.
authors: Muhammad
authors: M
authors: Mujahid
authors: Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 11 Acad. G. Bonchev Str., Sofia, Bulgaria.
authors: Natasha
authors: N
authors: Trendafilova
authors: Centre of Applied Science for Health, Institute of Technology Tallaght, Dublin 24, Ireland.
authors: Agnieszka Foltyn
authors: AF
authors: Arfa-Kia
authors: School of Engineering & Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, Scotland, UK.
authors: Georgina
authors: G
authors: Rosair
authors: Department of Biology, National University of Ireland, Maynooth, Co. Kildare, Ireland.
authors: Kevin
authors: K
authors: Kavanagh
authors: The Centre for Biomimetic and Therapeutic Research (CBTR), College of Sciences and Health, Dublin Institute of Technology, Camden Row, Dublin 8, Ireland.
authors: Michael
authors: M
authors: Devereux
authors: Centre of Applied Science for Health, Institute of Technology Tallaght, Dublin 24, Ireland.
authors: Maureen
authors: M
authors: Walsh
authors: Centre of Applied Science for Health, Institute of Technology Tallaght, Dublin 24, Ireland.
authors: Siobhán
authors: S
authors: McClean
authors: Centre of Applied Science for Health, Institute of Technology Tallaght, Dublin 24, Ireland. Electronic address: bernie.creaven@ittdublin.ie.
authors: Bernadette S
authors: BS
authors: Creaven
authors: Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 11 Acad. G. Bonchev Str., Sofia, Bulgaria. Electronic address: ivelina@svr.igic.bas.bg.
authors: Ivelina
authors: I
authors: Georgieva
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D002176:Candida albicans / Q000254:growth & development*; D003374:Coumarins / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D010618:Phenanthrolines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D011550:Pseudomonas aeruginosa / Q000254:growth & development*; D012834:Silver / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D003374:Coumarins; D010618:Phenanthrolines; D012834:Silver
keywords: Ag(I) complexes; Biological activity; Coumarin; DFT modeling; Phenanthroline; X-ray structure