Bisbenzimidazole salts and their in silico-in vitro inhibitory abilities on hCA I, hCA II, and AChE enzymes

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dc.contributor.authorYilmaz, Ulku
dc.contributor.authorDemir, Yeliz
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorGok, Yetkin
dc.contributor.authorAktas, Aydin
dc.contributor.authorGulcin, Ilhami
dc.date.accessioned2026-06-19T06:41:15Z
dc.date.available2026-06-19T06:41:15Z
dc.date.issued2024
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractEight new bisbenzimidazolium halides were prepared from alkyl halides and 4,4 '-bis[(benzimidazol-1-yl)methyl]-1,1 '-biphenyl.The structures of the benzimidazole salts were characterized using elemental analysis techniques as well as 1H, 13C NMR, and FT-IR spectroscopic methods. The inhibitory effects of the benzimidazole derivatives were measured against human carbonic anhydrase I (hCA I), human carbonic anhydrase II (hCA II), and acetylcholinesterase (AChE) enzymes. All benzimidazolium halides exhibited significant enzyme inhibitory properties. They showed highly potent inhibitory effect on AChE and hCAs (Ki values are in the range of 15.7 +/- 0.8 to 49.7 +/- 10.1 nM, 14.6 +/- 1.5 to 70.7 +/- 2.7 nM, and 17.4 +/- 2.8 to 38 +/- 10 nM for AChE, hCA I, and hCA II, respectively). The binding orientation of the synthesized bisbenzimidazolium halides was evaluated by molecular docking studies, reflecting the importance of the p-methylbenzyl, m-methylbenzyl, p-nitrophenethyl, and 3-(1,3-dioxoisoindolin-2-yl)methyl) groups in protein-ligand interaction. The docking results support the Ki values of the respective compounds in this study. The structure-activity relationships against the various targets are clearly shown in three dimensions at the atomic level by their interactions with the mentioned enzymes.
dc.identifier.doi10.1007/s00706-024-03204-5
dc.identifier.endpage662
dc.identifier.issn0026-9247
dc.identifier.issn1434-4475
dc.identifier.issue6
dc.identifier.orcid0000-0002-2806-4781
dc.identifier.orcid0000-0003-3216-1098
dc.identifier.orcid0000-0002-0064-8400
dc.identifier.scopus2-s2.0-85192507806
dc.identifier.scopusqualityQ3
dc.identifier.startpage653
dc.identifier.urihttps://doi.org/10.1007/s00706-024-03204-5
dc.identifier.urihttps://hdl.handle.net/20.500.12899/6132
dc.identifier.volume155
dc.identifier.wosWOS:001220844700002
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer Wien
dc.relation.ispartofMonatshefte Fur Chemie
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260612
dc.subjectBisbenzimidazole Salt
dc.subjectHca I
dc.subjectHca Ii
dc.subjectAche
dc.subjectIn Silico
dc.subjectIn Vitro
dc.titleBisbenzimidazole salts and their in silico-in vitro inhibitory abilities on hCA I, hCA II, and AChE enzymes
dc.typeArticle

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