The (NHC)PdBr2(2-aminopyridine) complexes: synthesis, characterization, molecular docking study, and inhibitor effects on the human serum carbonic anhydrase and serum bovine xanthine oxidase

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dc.authoridAteş, Burhan/0000-0001-6080-229X
dc.authoridAl-Khafaji, Khattab/0000-0002-2165-9256
dc.authoridAl-Khafaji, Khattab/0000-0002-2165-9256
dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridAktaş, Aydın/0000-0001-8496-6782
dc.authorwosidAteş, Burhan/AAA-3730-2021
dc.authorwosidAl-Khafaji, Khattab/AAU-4146-2020
dc.authorwosidNOMA, SAMIR/ABH-1773-2021
dc.authorwosidAl-Khafaji, Khattab/HPG-4151-2023
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidGök, Yetkin/AAA-5669-2021
dc.authorwosidAktaş, Aydın/J-6194-2019
dc.contributor.authorTurker, Ferhat
dc.contributor.authorNoma, Samir Abbas Ali
dc.contributor.authorAktas, Aydin
dc.contributor.authorAl-Khafaji, Khattab
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorAtes, Burhan
dc.contributor.authorGok, Yetkin
dc.date.accessioned2024-08-04T20:48:59Z
dc.date.available2024-08-04T20:48:59Z
dc.date.issued2020
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis study contains the synthesis, spectral analysis, and the enzyme inhibition effects of the Pd-based complexes bearing both 2-aminopyridine andN-heterocyclic carbene (NHC) ligands. The NHC ligand in the Pd-based complexes contains the 3-cyanobenzyl group. All new complexes were synthesized from (NHC)PdBr2(pyridine) complexes and 2-aminopyridine. These new complexes were characterized by using elemental analysis,H-1 NMR,C-13 NMR, and FT-IR spectroscopy techniques. Furthermore, inhibitor effects of these complexes were also tested toward some metabolic enzymes such as carbonic anhydrase and xanthine oxidase enzymes. The IC50 range for hCA I, hCA II, and XO were determined as 0.325-0.707, 0.238-0.636, and 0.576-1.693 mu M, respectively. These data showed that Pd(II)-NHC complexes bearing 2-aminopyridine may be potent inhibitors of hCA and XO enzymes. Besides these applications, molecular docking was performed by using CDOCKER tool as a part of Discovery studio 2019, not only to determine the binding mode of synthesized inhibitors, but also to determine the correlation between the CDOCKER score values and IC50 values. We found a good correlation (R-2 = 0.7403) between IC50 and the CDOCKER score of the inhibitors for XO. These findings could be a reference to start the development of effective medicine for XO. [GRAPHICS] .en_US
dc.description.sponsorshipInonu University Research Fund [FYL-2019-1446, FBG-2018-1569]; Inonu University Faculty of Science Department of Chemistryen_US
dc.description.sponsorshipThis study was financially supported by Inonu University Research Fund (Project Code: FYL-2019-1446 and FBG-2018-1569). The authors thank the Inonu University Faculty of Science Department of Chemistry for the spectroscopy and elemental analysis characterization of compounds.en_US
dc.identifier.doi10.1007/s00706-020-02687-2
dc.identifier.endpage1567en_US
dc.identifier.issn0026-9247
dc.identifier.issn1434-4475
dc.identifier.issue10en_US
dc.identifier.scopus2-s2.0-85092570983en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage1557en_US
dc.identifier.urihttps://doi.org/10.1007/s00706-020-02687-2
dc.identifier.urihttps://hdl.handle.net/11616/99585
dc.identifier.volume151en_US
dc.identifier.wosWOS:000578345200001en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringer Wienen_US
dc.relation.ispartofMonatshefte Fur Chemieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject2-Aminopyridineen_US
dc.subjectCarbonic anhydraseen_US
dc.subjectEnzyme inhibitionen_US
dc.subjectN-heterocyclic carbeneen_US
dc.subjectMolecular dockingen_US
dc.subjectPalladium complexesen_US
dc.subjectXanthine oxidaseen_US
dc.titleThe (NHC)PdBr2(2-aminopyridine) complexes: synthesis, characterization, molecular docking study, and inhibitor effects on the human serum carbonic anhydrase and serum bovine xanthine oxidaseen_US
dc.typeArticleen_US

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