Phthalimide-tethered imidazolium salts: Synthesis, characterization, enzyme inhibitory properties, and in silico studies

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dc.authoridAygün, Muhittin/0000-0001-9670-9062
dc.authoridDemir, Yeliz/0000-0003-3216-1098
dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridGulcin, ilhami/0000-0001-5993-1668
dc.authoridOzdemir, Ismail/0000-0001-6325-0216
dc.authorwosidAygün, Muhittin/P-3605-2019
dc.authorwosidDemir, Yeliz/ABI-5719-2020
dc.authorwosidBarut Celepci, Duygu/M-6189-2017
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidGulcin, ilhami/F-1428-2014
dc.contributor.authorYigit, Murat
dc.contributor.authorDemir, Yeliz
dc.contributor.authorCelepci, Duygu Barut
dc.contributor.authorTaskin-Tok, Tugba
dc.contributor.authorArinc, Ali
dc.contributor.authorYigit, Beyhan
dc.contributor.authorAygun, Muhittin
dc.date.accessioned2024-08-04T20:53:02Z
dc.date.available2024-08-04T20:53:02Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
dc.description.abstractA series of new imidazolium salts were prepared in good yield by the reaction between 1-alkylimidazole and a variety of alkyl halides. The structures of the compounds were identified by FT-IR, H-1 NMR, and C-13 NMR spectroscopy, elemental analysis, and mass spectrometry. The crystal structure of 1b was determined by the single-crystal X-ray diffraction method. The phthalimide-tethered imidazolium salts exhibited inhibition abilities toward acetylcholinesterase (AChE) and human carbonic anhydrases (hCAs) I and II, with K-i values in the range of 24.63 +/- 3.45 to 305.51 +/- 35.98 nM for AChE, 33.56 +/- 3.71 to 218.01 +/- 25.21 nM for hCA I and 17.75 +/- 0.96 to 308.67 +/- 13.73 nM for hCA II. The results showed that the new imidazolium salts can play a key role in the treatment of Alzheimer's disease, epilepsy, glaucoma, and leukemia, which is related to their inhibition abilities of hCA I, hCA II, and AChE. Molecular docking and in silico absorption, distribution, metabolism, excretion and toxicity studies were used to look into how the imidazolium salts interacted with the specific protein targets. To better visualize and understand the binding positions and the influence of the imidazolium salts on hCA I, hCA II, and AChE conformations, each one was subjected to molecular docking simulations.en_US
dc.description.sponsorshipAdiyaman University Research Fund [FEFYL/2020-0004]; Dokuz Eylul University [KB.FEN.13]en_US
dc.description.sponsorshipAdiyaman University Research Fund, Grant/Award Number: FEFYL/2020-0004; Dokuz Eylul University, Grant/Award Number: 2010.KB.FEN.13en_US
dc.identifier.doi10.1002/ardp.202200348
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue12en_US
dc.identifier.pmid36153848en_US
dc.identifier.scopus2-s2.0-85138668446en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.202200348
dc.identifier.urihttps://hdl.handle.net/11616/100908
dc.identifier.volume355en_US
dc.identifier.wosWOS:000858330500001en_US
dc.identifier.wosqualityQ1en_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.ispartofArchiv Der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectacetylcholinesteraseen_US
dc.subjectcarbonic anhydraseen_US
dc.subjectenzyme inhibitionen_US
dc.subjectimidazolium saltsen_US
dc.subjectmolecular dockingen_US
dc.titlePhthalimide-tethered imidazolium salts: Synthesis, characterization, enzyme inhibitory properties, and in silico studiesen_US
dc.typeArticleen_US

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