Palladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition

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dc.contributor.authorIkhlef, Sofiane
dc.contributor.authorLasmari, Sarra
dc.contributor.authorMokrani, El Hassen
dc.contributor.authorBoulcina, Raouf
dc.contributor.authorBensouici, Chawki
dc.contributor.authorGurbuz, Nevin
dc.contributor.authorOzdemir, Ismail
dc.date.accessioned2026-04-04T13:32:56Z
dc.date.available2026-04-04T13:32:56Z
dc.date.issued2024
dc.departmentİnönü Üniversitesi
dc.description.abstractBackground Alzheimer's disease is the most prevalent form of dementia; it affects the brain regions responsible for thought, memory, and language. Dementia cannot currently be cured by any medication. Objective We aimed to synthesize Pd-NHC type PEPPSI and investigate their biological activity in anticholinesterase enzymes. Methods In this study, we described preparing a series of Pd-NHC type PEPPSI obtained from their unsymmetrical benzimidazolium salts. These complexes (3a-f) were synthesized from the 2-chloromethyl-1,3-dioxalane benzimidazolium salts, PdCl2, KBr and pyridine. The compounds (3a-f) were tested against two enzymes (AChE and BChE). Results The results showed that most of the Palladium-NHC complexes effectively inhibited AChE with IC50 values in the range of 4.94 - 40.03 mu M, and for BChE are in the range of 4.21 - 21.28 mu M. The results showed that the compound (3a) was the most potent inhibitor activity against both AChE and BChE. The inhibition parameter (IC50) was calculated by the spectrophotometric method. The inhibitory effects of the synthesized Pd-NHCs were compared to galantamine as a clinical cholinergic enzyme inhibitor. Additionally, Molecular docking is carried out to estimate the binding pattern between the newly synthesized compounds and both AChE and BChE active sites. Conclusion The results demonstrated that all synthesized compounds show excellent to moderate inhibition against the examined enzymes (AChE/BChE).
dc.description.sponsorshipTechnological and Scientific Research Council of Turkey TUBITAK [117R010]; Ministere de l'Enseignement Superieur et de la Recherche Scientifique (Algeria); Direction de la Cooperation et des Echanges Interuniversitaires; DGRSDT (Direction Generale de la recherche Scientifique et du developpement Technologique)
dc.description.sponsorshipDeclared none.
dc.identifier.doi10.2174/1570180820666230508154948
dc.identifier.endpage2034
dc.identifier.issn1570-1808
dc.identifier.issn1875-628X
dc.identifier.issue11
dc.identifier.orcid0000-0001-9102-3854
dc.identifier.orcid0000-0001-6262-5645
dc.identifier.orcid0000-0001-6325-0216
dc.identifier.orcid0000-0003-3891-5874
dc.identifier.orcid0000-0003-4612-4642
dc.identifier.orcid0000-0003-3201-3597
dc.identifier.orcid0000-0002-2725-2940
dc.identifier.scopus2-s2.0-85201717433
dc.identifier.scopusqualityQ3
dc.identifier.startpage2023
dc.identifier.urihttps://doi.org/10.2174/1570180820666230508154948
dc.identifier.urihttps://hdl.handle.net/11616/108800
dc.identifier.volume21
dc.identifier.wosWOS:001312708000001
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherBentham Science Publ Ltd
dc.relation.ispartofLetters in Drug Design & Discovery
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectN-Heterocyclic carbine
dc.subjectbenzimidazolium salts
dc.subjectpalladium
dc.subjectAlzheimer's
dc.subjectcholinesterase (ChE)
dc.subjectmolecular docking
dc.titlePalladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition
dc.typeArticle

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