Design, synthesis and biological evaluation of novel ketone derivatives containing benzimidazole and 1,3,4-triazole as CA inhibitors

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dc.authoridISIK, Aysen/0000-0002-1280-0019
dc.contributor.authorCevik, Ulviye Acar
dc.contributor.authorIsik, Aysen
dc.contributor.authorKapavarapu, Ravikumar
dc.contributor.authorKucukoglu, Kaan
dc.contributor.authorNadaroglu, Hayrunnisa
dc.contributor.authorBostanci, Hayrani Eren
dc.contributor.authorOzkay, Yusuf
dc.date.accessioned2025-05-04T16:47:08Z
dc.date.available2025-05-04T16:47:08Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this study, we synthesized a series of new benzimidazole-triazole (6a-6k) derivatives and characterized them by 1H NMR, 13C NMR, and HRMS. These compounds were evaluated for their inhibitory activity against hCA-I and hCA-II. All the compounds exhibited good hCA-I and hCA-II inhibitory activities with IC50 values in the range of 1.158 mu M to 3.48 mu M. Among all these compounds, compound 6j, with an IC50 value of 1.288 mu M and 1.6197 mu M, is the most active against hCA-I and hCA-II, respectively. Compounds 6a-6k were also evaluated for their cytotoxic effects on the L929 mouse fibroblast (normal) cell line. Enzyme inhibition kinetics showed all compounds 6a-6k to inhibit the enzyme by non-competitive. The most active compound 6j was subjected to molecular docking, which revealed their binding interactions with the enzyme's active site, confirming the experimental findings.
dc.identifier.doi10.1016/j.molstruc.2023.136770
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85173844631
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2023.136770
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35491
dc.identifier.volume1295
dc.identifier.wosWOS:001097119900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250504
dc.subjectBenzimidazole
dc.subject4-Triazole
dc.subjectCarbonic anhydrase
dc.subjectMolecular docking
dc.subjectCytotoxicity
dc.titleDesign, synthesis and biological evaluation of novel ketone derivatives containing benzimidazole and 1,3,4-triazole as CA inhibitors
dc.typeArticle

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