DNA-and BSA-binding properties of dichloro(1-methallyl-3-arylmethyl-5,6-dimethylbenzimidazolin-2-ylidene)pyridine palladium(II) complexes

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dc.contributor.authorUstun, Elvan
dc.contributor.authorSahin, Neslihan
dc.contributor.authorSemeril, David
dc.date.accessioned2026-06-19T06:39:27Z
dc.date.available2026-06-19T06:39:27Z
dc.date.issued2026
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractAims: A synthesis of five palladium(II) complexes was conducted, and their binding affinities against deoxyribonucleic acid (DNA) and Bovine Serum Albumin (BSA) were evaluated. Materials & methods: The PEPPSI-type complexes, dichloro[1-methallyl-3-(4-methylbenzyl)-5,6-dimethylbenzimidazolin-2-ylidene]pyridine palladium(II) (2a), dichloro[1-methallyl-3-(4-chlorobenzyl)-5,6-dimethylbenzimidazolin-2-ylidene]pyridine palladium(II) (2b), dichloro[1-methallyl-3-(4-tert-butylbenzyl)-5,6-dimethylbenzimidazolin-2-ylidene]pyridine palladium(II) (2c), dichloro[1-methallyl-3-(4-methoxybenzyl)-5,6-dimethylbenzimidazolin-2-ylidene]pyridine palladium(II) (2d) and dichloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)-5,6-dimethylbenzimidazolin-2-ylidene]pyridine palladium(II) (2e), were synthetized in 74-82% yields. The structural characterization of the complexes was conducted through the utilization of H-1 and C-13 Nuclear magnetic resonance (NMR) spectroscopy, in conjunction with Fourier transform infrared (FT-IR) spectroscopy, mass spectroscopy and elemental analysis. DNA- and BSA-binding evaluation was performed spectroscopically with Benesi-Hildebrand Method and theoretically with molecular docking method. Results and conclusions: According to the experimental method, complex 2a exhibited the strongest binding constant against DNA (1.84 & times; 10(4) M-1), while complex 2c demonstrated the highest BSA binding constant (2.83 & times; 10(4 )M(-1)). Subsequent to molecular docking, and consistent with experimental findings, it was determined that all molecules exhibited interaction with the same DNA and BSA residues. Complex 2a demonstrated the strongest binding affinity against DNA, while complex 2c manifested the most robust interaction with a binding value of -8.09 kcal/mol. A thorough evaluation of the drug-likeness properties of the palladium(II) complexes was conducted using the SwissADME web tool.
dc.identifier.doi10.1080/17568919.2026.2636820
dc.identifier.endpage758
dc.identifier.issn1756-8919
dc.identifier.issn1756-8927
dc.identifier.issue7
dc.identifier.pmid41742781
dc.identifier.scopus2-s2.0-105031455328
dc.identifier.scopusqualityQ2
dc.identifier.startpage747
dc.identifier.urihttps://doi.org/10.1080/17568919.2026.2636820
dc.identifier.urihttps://hdl.handle.net/20.500.12899/5623
dc.identifier.volume18
dc.identifier.wosWOS:001702631400001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofFuture Medicinal Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260612
dc.subjectPalladium
dc.subjectN-Heterocyclic Carbene
dc.subjectPeppsi-Type Complexes
dc.subjectBsa-Binding
dc.subjectDna-Binding
dc.subjectMolecular Docking
dc.subjectAdme
dc.titleDNA-and BSA-binding properties of dichloro(1-methallyl-3-arylmethyl-5,6-dimethylbenzimidazolin-2-ylidene)pyridine palladium(II) complexes
dc.typeArticle

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