Fluorinated benzimidazolium salts: Synthesis, characterization, molecular docking studies and inhibitory properties against some metabolic enzymes

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dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridAktaş, Aydın/0000-0001-8496-6782
dc.authoridAygün, Muhittin/0000-0001-9670-9062
dc.authoridDemir, Yeliz/0000-0003-3216-1098
dc.authoridGulcin, ilhami/0000-0001-5993-1668
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidAktaş, Aydın/J-6194-2019
dc.authorwosidAygün, Muhittin/P-3605-2019
dc.authorwosidDemir, Yeliz/ABI-5719-2020
dc.authorwosidGulcin, ilhami/F-1428-2014
dc.contributor.authorZengin, Ramazan
dc.contributor.authorGok, Yetkin
dc.contributor.authorDemir, Yeliz
dc.contributor.authorSen, Betul
dc.contributor.authorTaskin-Tok, Tugba
dc.contributor.authorAktas, Aydin
dc.contributor.authorDemirci, Ozlem
dc.date.accessioned2024-08-04T20:53:24Z
dc.date.available2024-08-04T20:53:24Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractHere, a number of symmetric and unsymmetric N-heterocyclic carbene (NHC) precursors based on benzimidazol-2-ylidene are synthesized. The N-benzyl substituent in these compounds has an electron-withdrawing group (F) at the para position. The structure of these compounds was characterized using elemental analysis and various spectroscopic methods (FTIR and NMR). The molecular and crystal structures of compound 1f and compound 1h were unambiguously elucidated through single-crystal X-ray diffraction analysis. According to the X-ray studies, compound 1f exhibits the formation of a U-shaped molecule whereas compound 1h has a Z-shape formation. In addition, the enzyme inhibition activities of these compounds were investigated against acetylcholinesterase (AChE) and carbonic anhydrases (hCAs). They showed a highly potent inhibition effect on AChE and hCAs (Ki values are in the range of 14.84 +/- 1.91 to 174.80 +/- 23.60 nM for AChE, 22.41 +/- 1.93 to 188.67 +/- 27.05 nM for hCA I and 35.29 +/- 7.21 to 136.55 +/- 17.61 nM for hCA II). These results may contribute to the design and development of new drug candidates, particularly for treatment of some widespread disorders displayed in the world including Alzheimer's disease and glaucoma.en_US
dc.description.sponsorshipDokuz Eylul University; Inonu University Research Fund [2010. KB.FEN.13]; [FYL-2022- 2750]en_US
dc.description.sponsorshipDokuz Eylul University for the use of the Oxford Rigaku Xcalibur Eos Diffractometer (purchased under University Research Grant No: 2010. KB.FEN.13) is also greatly acknowledged. This study was financially supported by Inonu University Research Fund (Project Code: FYL-2022- 2750) .en_US
dc.identifier.doi10.1016/j.jfluchem.2023.110094
dc.identifier.issn0022-1139
dc.identifier.issn1873-3328
dc.identifier.scopus2-s2.0-85147583042en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1016/j.jfluchem.2023.110094
dc.identifier.urihttps://hdl.handle.net/11616/101159
dc.identifier.volume267en_US
dc.identifier.wosWOS:000935143500001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Saen_US
dc.relation.ispartofJournal of Fluorine Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAcetylcholinesteraseen_US
dc.subjectCarbonic anhydraseen_US
dc.subjectN -heterocyclic carbeneen_US
dc.subjectBenzimidazol-2-ylideneen_US
dc.subjectIn-silico dockingen_US
dc.titleFluorinated benzimidazolium salts: Synthesis, characterization, molecular docking studies and inhibitory properties against some metabolic enzymesen_US
dc.typeArticleen_US

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