Synthesis and Molecular Docking Studies of New Ibuprofen Derivatives as AChE, BChE, and COX-2 Inhibitors

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dc.contributor.authorHizliates, Cevher Gundogdu
dc.contributor.authorAydin, Ebru
dc.contributor.authorNoma, Samir Abbas Ali
dc.contributor.authorKaya, Yunus
dc.contributor.authorOsman, Bilgen
dc.contributor.authorDemir, Nalan
dc.date.accessioned2026-02-08T15:14:49Z
dc.date.available2026-02-08T15:14:49Z
dc.date.issued2024
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractAlzheimer's disease (AD), the most common age-related neurodegenerative condition, is named after Alois Alzheimer and is marked by a progressive deterioration in memory, cognitive function, and behavior. Research has highlighted the importance of nonsteroidal anti-inflammatory drugs (NSAIDs) in inhibiting the aggregation of amyloid beta-peptide (A beta), a key feature of AD pathology. Ibuprofen, an NSAID from the propionic acid class, is widely used to manage osteoarthritis and rheumatoid arthritis, exhibiting strong anti-inflammatory and antipyretic effects. However, the drug's acidic group limits its selectivity for cyclooxygenase (COX) enzymes and contributes to several adverse effects. This study aimed to modify the acidic moiety of ibuprofen into lactone (IBU-O 1-4) and lactam (IBU-I 1-3) derivatives to mitigate these side effects. The structural properties of the synthesized imidazolone (IBU-I 1-3) and oxazolone (IBU-O 1-4) derivatives were characterized through Q-TOF LC-MS, H-1-NMR, C-1(3)-NMR, and IR spectroscopy. Molecular docking studies followed by Ellman's method assessed the inhibitory effects of these compounds on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), while an enzyme immunoassay (EIA) kit was used to evaluate their inhibition of cyclooxygenase-2 (COX-2).
dc.description.sponsorshipScientific Research Fund of Dokuz Eylul University for Project; Dokuz Eylul University
dc.description.sponsorshipThe authors would like to thank Scientific Research Fund of Dokuz Eylul University for Project 2020.KBFEN.019.
dc.identifier.doi10.1002/slct.202403781
dc.identifier.issn2365-6549
dc.identifier.issue40
dc.identifier.scopus2-s2.0-85206990255
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1002/slct.202403781
dc.identifier.urihttps://hdl.handle.net/20.500.12885/5459
dc.identifier.volume9
dc.identifier.wosWOS:001369135400001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistryselect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzWOS_KA_20260207
dc.subjectAlzheimer's disease
dc.subjectCholinesterases
dc.subjectCyclooxygenase-2
dc.subjectMolecular docking
dc.subjectNonsteroidal anti-inflammatory drugs
dc.titleSynthesis and Molecular Docking Studies of New Ibuprofen Derivatives as AChE, BChE, and COX-2 Inhibitors
dc.typeArticle

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