Impact of the central atom and halido ligand on the structure, antiproliferative activity and selectivity of half-sandwich Ru(ii) and Ir(iii) complexes with a 1,3,4-thiadiazole-based ligand

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dc.contributor.authorKrikavova, Radkacs
dc.contributor.authorRomanovová, Michaelacs
dc.contributor.authorJendželovská, Zuzanacs
dc.contributor.authorMajerník, Martincs
dc.contributor.authorMasaryk, Lukášcs
dc.contributor.authorZoufalý, Pavelcs
dc.contributor.authorMilde, Davidcs
dc.contributor.authorMoncol, Jáncs
dc.contributor.authorHerchel, Radovancs
dc.contributor.authorJendželovský, Rastislavcs
dc.contributor.authorNemec, Ivancs
dc.coverage.issue36cs
dc.coverage.volume52cs
dc.date.issued2023-09-19cs
dc.description.abstractHalf-sandwich complexes [Ru(?(6)-pcym)(L1)X]PF6 (1, 3) and [Ir(?(5)-Cp*)(L1)X]PF6 (2, 4) featuring a thiadiazole-based ligand L1 (2-(furan-2-yl)-5-(pyridin-2-yl)-1,3,4-thiadiazole) were synthesized and characterized by varied analytical methods, including single-crystal X-ray diffraction (X = Cl or I, pcym = p-cymene, Cp* = pentamethylcyclopentadienyl). The structures of the molecules were analysed and interpreted using computational methods such as Density Functional Theory (DFT) and Quantum Theory of Atoms in Molecules (QT-AIM). A H-1 NMR spectroscopy study showed that complexes 1-3 exhibited hydrolytic stability while 4 underwent partial iodido/chlorido ligand exchange in phosphate-buffered saline. Moreover, 1-4 demonstrated the ability to oxidize NADH (reduced nicotinamide adenine dinucleotide) to NAD(+) with Ir(iii) complexes 2 and 4 displaying higher catalytic activity compared to their Ru(ii) analogues. None of the complexes interacted with reduced glutathione (GSH). Additionally, 1-4 exhibited greater lipophilicity than cisplatin. In vitro biological analyses were performed in healthy cell lines (CCD-18Co colon and CCD-1072Sk foreskin fibroblasts) as well as in cisplatin-sensitive (A2780) and -resistant (A2780cis) ovarian cancer cell lines. The results indicated that Ir(iii) complexes 2 and 4 had no effect on human fibroblasts, demonstrating their selectivity. In contrast, complexes 1 and 4 exhibited moderate inhibitory effects on the metabolic and proliferation activities of the cancer cells tested (selectivity index SI > 3.4 for 4 and 2.6 for cisplatin; SI = IC50(A2780)/IC50(CCD-18Co)), including the cisplatin-resistant cancer cell line. Based on these findings, it is possible to emphasize that mainly complex 4 could represent a further step in the development of selective and highly effective anticancer agents, particularly against resistant tumour types.en
dc.formattextcs
dc.format.extent12717-12732cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationDalton Transactions. 2023, vol. 52, issue 36, p. 12717-12732.en
dc.identifier.doi10.1039/d3dt01696jcs
dc.identifier.issn1477-9234cs
dc.identifier.orcid0000-0003-3231-7849cs
dc.identifier.other187389cs
dc.identifier.researcheridA-6969-2010cs
dc.identifier.scopus57201282084cs
dc.identifier.urihttp://hdl.handle.net/11012/245058
dc.language.isoencs
dc.publisherRoyal Society of Chemistrycs
dc.relation.ispartofDalton Transactionscs
dc.relation.urihttps://pubs.rsc.org/en/content/articlelanding/2023/dt/d3dt01696jcs
dc.rightsCreative Commons Attribution-NonCommercial 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/1477-9234/cs
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/cs
dc.subjectPHOTODYNAMIC THERAPYen
dc.subjectANTICANCER ACTIVITYen
dc.subjectCANCER-CELLSen
dc.subjectBASIS-SETSen
dc.subjectRUTHENIUMen
dc.subjectHYPERICINen
dc.subjectGLUTATHIONEen
dc.subjectDESIGNen
dc.subjectPSEUDOPOTENTIALSen
dc.subjectCYTOTOXICITYen
dc.titleImpact of the central atom and halido ligand on the structure, antiproliferative activity and selectivity of half-sandwich Ru(ii) and Ir(iii) complexes with a 1,3,4-thiadiazole-based liganden
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-187389en
sync.item.dbtypeVAVen
sync.item.insts2025.02.03 15:50:53en
sync.item.modts2025.01.17 18:35:01en
thesis.grantorVysoké učení technické v Brně. Středoevropský technologický institut VUT. Magneto-Optická a THz Spektroskopiecs
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