{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,30]],"date-time":"2026-10-30T15:55:29Z","timestamp":1793375729629,"version":"4.5.0"},"reference-count":66,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2023,6,5]],"date-time":"2023-06-05T00:00:00Z","timestamp":1685923200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"the Technological Sector Research Programme, Strand III CRS-02 TA01-4 under the European Social Fund and by the Centre of Applied Science for Health, TU Dublin funded under PRTLI-5 funding","award":["(BG05M2OP001-1.001-0008)"],"award-info":[{"award-number":["(BG05M2OP001-1.001-0008)"]}]},{"name":"the Technological Sector Research Programme, Strand III CRS-02 TA01-4 under the European Social Fund and by the Centre of Applied Science for Health, TU Dublin funded under PRTLI-5 funding","award":["No. D01-387\/18.12.2020"],"award-info":[{"award-number":["No. D01-387\/18.12.2020"]}]},{"name":"the project of the European Regional Development Fund within the Operational Programme \u201cScience and Education for Smart Growth 2014\u20132020\u201d under the Project CoE \u201cNational Center of Mechatronics and Clean Technologies\u201d","award":["(BG05M2OP001-1.001-0008)"],"award-info":[{"award-number":["(BG05M2OP001-1.001-0008)"]}]},{"name":"the project of the European Regional Development Fund within the Operational Programme \u201cScience and Education for Smart Growth 2014\u20132020\u201d under the Project CoE \u201cNational Center of Mechatronics and Clean Technologies\u201d","award":["No. D01-387\/18.12.2020"],"award-info":[{"award-number":["No. D01-387\/18.12.2020"]}]},{"name":"the provided access to the e-infrastructure of the NCHDC\u2014part of the Bulgarian National Roadmap on RIs, with the financial support","award":["(BG05M2OP001-1.001-0008)"],"award-info":[{"award-number":["(BG05M2OP001-1.001-0008)"]}]},{"name":"the provided access to the e-infrastructure of the NCHDC\u2014part of the Bulgarian National Roadmap on RIs, with the financial support","award":["No. D01-387\/18.12.2020"],"award-info":[{"award-number":["No. D01-387\/18.12.2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Tackling antimicrobial resistance is of increasing concern in a post-pandemic world where overuse of antibiotics has increased the threat of another pandemic caused by antimicrobial-resistant pathogens. Derivatives of coumarins, a naturally occurring bioactive compound, and its metal complexes have proven therapeutic potential as antimicrobial agents and in this study a series of copper(II) and zinc(II) complexes of coumarin oxyacetate ligands were synthesised and characterised by spectroscopic techniques (IR, 1H, 13C NMR, UV-Vis) and by X-ray crystallography for two of the zinc complexes. The experimental spectroscopic data were then interpreted on the basis of molecular structure modelling and subsequent spectra simulation using the density functional theory method to identify the coordination mode in solution for the metal ions in the complexes. Interestingly, the solid-state coordination environment of the zinc complexes is in good agreement with the simulated solution state, which has not been the case in our previous studies of these ligands when coordinated to silver(I). Previous studies had indicated excellent antimicrobial activity for Ag(I) analogues of these ligands and related copper and zinc complexes of coumarin-derived ligands, but in this study none of the complexes displayed antimicrobial activity against the clinically relevant methicillin-resistant Staphylococcus aureus (MRSA), Pseudomonas aeruginosa and Candida albicans.<\/jats:p>","DOI":"10.3390\/molecules28114560","type":"journal-article","created":{"date-parts":[[2023,6,6]],"date-time":"2023-06-06T02:08:15Z","timestamp":1686017295000},"page":"4560","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Structural and Spectroscopic Study of New Copper(II) and Zinc(II) Complexes of Coumarin Oxyacetate Ligands and Determination of Their Antimicrobial Activity"],"prefix":"10.3390","volume":"28","author":[{"given":"Muhammad","family":"Mujahid","sequence":"first","affiliation":[{"name":"Centre of Applied Science for Health, TU Dublin, Tallaght, D24 FKT9 Dublin, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Natasha","family":"Trendafilova","sequence":"additional","affiliation":[{"name":"Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 11 Acad. G. Bonchev Str., 1113 Sofia, Bulgaria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4079-0938","authenticated-orcid":false,"given":"Georgina","family":"Rosair","sequence":"additional","affiliation":[{"name":"School of Engineering & Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kevin","family":"Kavanagh","sequence":"additional","affiliation":[{"name":"Department of Biology, Maynooth University, W23 F2K8 Maynooth, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maureen","family":"Walsh","sequence":"additional","affiliation":[{"name":"Centre of Applied Science for Health, TU Dublin, Tallaght, D24 FKT9 Dublin, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bernadette S.","family":"Creaven","sequence":"additional","affiliation":[{"name":"Centre of Applied Science for Health, TU Dublin, Tallaght, D24 FKT9 Dublin, Ireland"},{"name":"School of Chemical and Pharmaceutical Sciences, TU Dublin, Central Quad, Grangegorman, D07 H6K8 Dublin, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivelina","family":"Georgieva","sequence":"additional","affiliation":[{"name":"Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 11 Acad. G. Bonchev Str., 1113 Sofia, Bulgaria"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,6,5]]},"reference":[{"key":"ref_1","unstructured":"Bakhy, H. (2022). Global Antimicrobial Resistance and Use Surveillance System (GLASS) Report 2022, World Health Organization. Available online: https:\/\/www.who.int\/health-topics\/antimicrobial-resistance."},{"key":"ref_2","unstructured":"CDC (2022). Infographic: Antibiotic Resistance the Global Threat, CDC."},{"key":"ref_3","unstructured":"European Centre for Disease Prevention and Control, and World Health Organization (2022). Antimicrobial Resistance Surveillance in Europe 2022\u20132020 Data, World Health Organization."},{"key":"ref_4","unstructured":"(2020). 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