New Diacetic Acids Containing Quinazolin-4(3H)-one: Synthesis, Characterization, Anticholinergic Properties, DFT Analysis and Molecular Docking Studies

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dc.authoridYirtici, Umit/0000-0002-0142-6105
dc.authoridTOKALI, Feyzi Sinan/0000-0001-5532-8802
dc.contributor.authorTokali, Feyzi Sinan
dc.contributor.authorSaglamtas, Ruya
dc.contributor.authorOztekin, Aykut
dc.contributor.authorYirtici, Umit
dc.contributor.authorComakli, Veysel
dc.date.accessioned2025-01-21T16:42:51Z
dc.date.available2025-01-21T16:42:51Z
dc.date.issued2023
dc.departmentKırıkkale Üniversitesi
dc.description.abstractIn this study, a new series of quinazolin-4(3H)-ones, which constitute an important part of biologically active heterocyclic compounds, were synthesized with excellent yields (99-94 %). The structures of the synthesized compounds (1-14) were characterized with Fourier-transform infrared (FTIR), nuclear magnetic resonance (H-1 NMR - C-13 NMR), and high-resolution mass spectroscopy (HRMS). Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition properties were examined to evaluate the anticholinergic properties of the synthesized compounds. For AChE, molecules showed IC50 in ranging of 16.27-9.12 mu M and K(i)s in ranging of 19.20 +/- 0.68-4.83 +/- 0.19 mu M. For BChE, molecules showed IC50 in ranging of 16.77-8.50 mu M and K(i)s in ranging of 10.35 +/- 2.15-3.38 +/- 0.25 mu M. Molecular docking was performed to determine the predicted interactions between the synthesized molecules and enzymes. Additionally, Density-functional theory (DFT) studies were also carried out to clarify the electronic structures of compounds.
dc.description.sponsorshipResearch Fund of Kafkas University [2021-FM-69]
dc.description.sponsorshipAcknowledgments This work was supported by the Research Fund of Kafkas University with the project number 2021-FM-69.
dc.identifier.doi10.1002/slct.202205039
dc.identifier.issn2365-6549
dc.identifier.issue10
dc.identifier.scopus2-s2.0-85150168375
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1002/slct.202205039
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25152
dc.identifier.volume8
dc.identifier.wosWOS:000943732200001
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/closedAccess
dc.snmzKA_20241229
dc.subjectAcetylcholinesterase; butyrylcholinesterase; DFT; inhibition; quinazolin-4(3H)-one
dc.titleNew Diacetic Acids Containing Quinazolin-4(3H)-one: Synthesis, Characterization, Anticholinergic Properties, DFT Analysis and Molecular Docking Studies
dc.typeArticle

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