Antifungal Azole Derivatives Featuring Naphthalene Prove Potent and Competitive Cholinesterase Inhibitors with Potential CNS Penetration According to the in Vitro and in Silico Studies

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dc.authoridKarakurt, Arzu/0000-0003-2209-0871
dc.authoridSARI, SUAT/0000-0002-8248-4218
dc.authoridalagoz, mehmet abdullah/0000-0001-5190-7196
dc.authoridSARI, SUAT/0000-0002-8248-4218
dc.authoridOzdemir, Zenyep/0000-0003-4559-2305
dc.authoridAKKAYA, Didem/0000-0002-0711-951X
dc.authoridZengin, Merve/0000-0003-1586-5448
dc.authorwosidKarakurt, Arzu/ABH-9340-2020
dc.authorwosidSARI, SUAT/JCD-8070-2023
dc.authorwosidalagoz, mehmet abdullah/W-7847-2018
dc.authorwosidSARI, SUAT/A-5249-2017
dc.authorwosidOzdemir, Zenyep/AAJ-6384-2020
dc.authorwosidAKKAYA, Didem/AAJ-7644-2021
dc.contributor.authorSari, Suat
dc.contributor.authorAkkaya, Didem
dc.contributor.authorZengin, Merve
dc.contributor.authorSabuncuoglu, Suna
dc.contributor.authorOzdemir, Zeynep
dc.contributor.authorAlagoz, M. Abdullah
dc.contributor.authorKarakurt, Arzu
dc.date.accessioned2024-08-04T20:52:04Z
dc.date.available2024-08-04T20:52:04Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
dc.description.abstractCholinesterase inhibition is of great importance in the fight against neurodegenerative disorders such as Alzheimer's disease. Azole antifungals have come under the spotlight with recent discoveries that underline the efficacy and potential of miconazole and its derivatives against cholinesterase enzymes. In this study, we evaluated a library of azoles against acetylcholinesterase and butyrylcholinesterase using in vitro and in silico methods to identify potent inhibitors. Low micromolar IC50 values were obtained for imidazole derivatives, which were further tested and found potent competitive cholinesterase inhibitors via enzyme kinetics study. The active derivatives showed negligible toxicity in in vitro cytotoxicity tests. Molecular modeling studies predicted that these derivatives were druglike, could penetrate blood-brain barrier, and tightly bind to cholinesterase active site making key interactions via the imidazole moiety at protonated state. Thus, current study identifies potent and competitive cholinesterase inhibitor azoles with minor toxicity and potential to pass into the central nervous system.en_US
dc.identifier.doi10.1002/cbdv.202200027
dc.identifier.issn1612-1872
dc.identifier.issn1612-1880
dc.identifier.issue7en_US
dc.identifier.pmid35695705en_US
dc.identifier.scopus2-s2.0-85132428248en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/cbdv.202200027
dc.identifier.urihttps://hdl.handle.net/11616/100731
dc.identifier.volume19en_US
dc.identifier.wosWOS:000814870100001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofChemistry & Biodiversityen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectacetylcholinesteraseen_US
dc.subjectbutyrylcholinesteraseen_US
dc.subjectimidazoleen_US
dc.subjectenzyme kineticsen_US
dc.subjectmolecular dockingen_US
dc.titleAntifungal Azole Derivatives Featuring Naphthalene Prove Potent and Competitive Cholinesterase Inhibitors with Potential CNS Penetration According to the in Vitro and in Silico Studiesen_US
dc.typeArticleen_US

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