New palladium complexes with N-heterocyclic carbene and morpholine ligands: Synthesis, characterization, crystal structure, molecular docking, and biological activities

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dc.authoridAktaş, Aydın/0000-0001-8496-6782
dc.authoridGulcin, ilhami/0000-0001-5993-1668
dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridAygün, Muhittin/0000-0001-9670-9062
dc.authoridTaslimi, Parham/0000-0002-3171-0633
dc.authorwosidAktaş, Aydın/J-6194-2019
dc.authorwosidGulcin, ilhami/F-1428-2014
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidTaslimi, Parham/AAL-2788-2020
dc.authorwosidAygün, Muhittin/P-3605-2019
dc.contributor.authorBehcet, Ayten
dc.contributor.authorTaslimi, Parham
dc.contributor.authorSen, Betul
dc.contributor.authorTaskin-Tok, Tugba
dc.contributor.authorAktas, Aydin
dc.contributor.authorGok, Yetkin
dc.contributor.authorAygun, Muhittin
dc.date.accessioned2024-08-04T20:54:47Z
dc.date.available2024-08-04T20:54:47Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis work includes the synthesis of a new series of palladium-based complexes containing both morpholine and N-heterocyclic carbene (NHC) ligands. The new complexes were characterized using NMR (1H and 13C), FTIR spectroscopic, and elemental analysis techniques. The crystal structure of complex 1b was obtained by utilizing the single-crystal X-ray diffraction method. X-ray studies show that the coordination environment of palladium atom is completed by the carbene carbon atom of the NHC ligand, the nitrogen atom of the morpholine ring, and a pair of bromide ligand, resulting in the formation of slightly distorted square planar geometry. All complexes were determined for some metabolic enzyme activities. Results indicated that all the synthetic complexes exhibited powerful inhibitory actions against all aims as compared to the control molecules. Ki values of new morpholine-liganded complexes bearing 4-hydroxyphenylethyl group 1a-e for hCA I, hCA II, AChE, BChE, and alpha-glycosidase enzymes were obtained in the ranges 0.93-2.14, 1.01-2.03, 4.58-10.27, 7.02-13.75, and 73.86-102.65 mu M, respectively. Designing of reported complexes is impacted by molecular docking study, and interaction with the current enzymes also proclaimed that compounds 1e (-12.25 kcal/mol for AChE and -11.63 kcal/mol for BChE), 1c (-10.77 kcal/mol and -9.26 kcal/mol for alpha-Gly and hCA II, respectively), and 1a (-8.31 kcal/mol for hCA I) are showing binding affinity and interaction from the synthesized five novel complexes.en_US
dc.description.sponsorshipBartin Universitesi [2020-FEN-B-005]; Dokuz Eyluel Universitesi [2010.KB.FEN.13]en_US
dc.description.sponsorshipBartin Universitesi, Grant/Award Number: 2020-FEN-B-005; Dokuz Eyluel Universitesi, Grant/Award Number: 2010.KB.FEN.13en_US
dc.identifier.doi10.1002/jbt.23554
dc.identifier.issn1095-6670
dc.identifier.issn1099-0461
dc.identifier.issue1en_US
dc.identifier.pmid37855258en_US
dc.identifier.scopus2-s2.0-85174407374en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/jbt.23554
dc.identifier.urihttps://hdl.handle.net/11616/101627
dc.identifier.volume38en_US
dc.identifier.wosWOS:001086399900001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofJournal of Biochemical and Molecular Toxicologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectenzyme inhibitionen_US
dc.subjectmolecular dockingen_US
dc.subjectXRDen_US
dc.subjectmorpholineen_US
dc.subjectN-heterocyclic carbeneen_US
dc.subjectpalladiumen_US
dc.subjectphenolen_US
dc.titleNew palladium complexes with N-heterocyclic carbene and morpholine ligands: Synthesis, characterization, crystal structure, molecular docking, and biological activitiesen_US
dc.typeArticleen_US

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