Preparation, structural analysis, bioactivity assessment, enzyme and molecular docking calculations of some furan/thiophene-2-carboxamide derivatives

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dc.authoridCAKMAK, Sukriye/0000-0002-2221-0098
dc.authoridYenigun, Semiha/0000-0002-1979-5427
dc.contributor.authorCakmak, Sukriye
dc.contributor.authorYenigun, Semiha
dc.contributor.authorOzen, Tevfik
dc.date.accessioned2025-03-23T19:42:18Z
dc.date.available2025-03-23T19:42:18Z
dc.date.issued2023
dc.departmentSinop Üniversitesi
dc.description.abstractSome furan/thiophene-2-carboxamide derivatives (1-3) were prepared from acyl chlorides and heterocyclic amine derivatives with good yields, employing synthetic route and their chemical structures were confirmed using different spectroscopic methods including IR, 1H NMR, 13C NMR and elemental analysis. Three different enzyme inhibition effect tests as urease, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibiting activities, were applied to these compounds. The biological evaluation results clearly showed that the compound 1 showed approximately 9.8-fold more activity against urease enzyme than thiourea standard while the compound 3 showed approximately 4.2-fold more activity against BChE enzyme than galantamine standard. The molecular interaction for each of the target compounds with the active sites of the urease, acetylcholinesterase and butyrylcholinesterase enzymes was investigated by molecular insertion simulations and the results were confirmed the experimental findings. The results also show that compounds such as 1 and 3 carrying thiophene/furan carbocamide moieties could be used promising structures in the development of more potent pharmaceutical agents in the future.
dc.identifier.doi10.1007/s13738-023-02852-4
dc.identifier.issn1735-207X
dc.identifier.issn1735-2428
dc.identifier.scopus2-s2.0-85169163640
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1007/s13738-023-02852-4
dc.identifier.urihttps://hdl.handle.net/11486/6756
dc.identifier.wosWOS:001064817500003
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of the Iranian Chemical Society
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectCarboxamide
dc.subjectEnzyme inhibitor
dc.subjectAmides
dc.subjectMolecular docking
dc.subjectSpectroscopic studies
dc.titlePreparation, structural analysis, bioactivity assessment, enzyme and molecular docking calculations of some furan/thiophene-2-carboxamide derivatives
dc.typeArticle

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