Novel diamide derivatives: Synthesis, characterization, urease inhibition, antioxidant, antibacterial, and molecular docking studies

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dc.authoridCAKMAK, Sukriye/0000-0002-2221-0098
dc.contributor.authorcakmak, Uekriye
dc.date.accessioned2025-03-23T19:39:22Z
dc.date.available2025-03-23T19:39:22Z
dc.date.issued2022
dc.departmentSinop Üniversitesi
dc.description.abstractNovel diamides ( I -VI ) were synthesized, corroborated by various spectroscopic techniques including IR, H-1 NMR, C-13 NMR, mass spectrophotometry and elemental analysis. The in vitro screening of the newly synthesized compounds was evaluated for their urease inhibition activity and compound IV was found the most potent derivative with 2.5-fold more enhanced activity (IC50 = 8.17 +/- 0.39 mg/mL) than the standard drug thiourea (IC50 = 20.79 +/- 0.34 mg/mL). The molecular docking study supported the experimental results and revealed that compound IV has shown a significant dock score and binds within the active site of the target enzyme. Furthermore, these compounds were investigated for their efficacy as antioxidant and antimicrobial agents in vitro. Among all the tested compounds, compound I (IC50 = 45.88 perpendicular to 3.99 mu g/mL) showed the highest antioxidant activity, whereas compound VI (IC50 = 124.60 perpendicular to 2.20 mu g/mL) exhibited the lowest activity when compared to standards. Concerning antibacterial activities especially compound III showed superior antimicrobial activity against the bacteria type B. cereus compared to the other compounds. Based on the present research, it was concluded that useful application areas such as the pharmaceutical industry can be investigated by conducting in vivo biochemical tests of effective diamides. (c) 2022 Published by Elsevier B.V.
dc.description.sponsorshipOndokuz Mayis University Department of Chemistry
dc.description.sponsorshipI would like thankful to Ondokuz Mayis University Department of Chemistry for providing laboratory facilities. I am also grateful to Prof. Dr. Tevfik Ozen and his team for helping me during studies.
dc.identifier.doi10.1016/j.molstruc.2022.132932
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85127491541
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.132932
dc.identifier.urihttps://hdl.handle.net/11486/6331
dc.identifier.volume1261
dc.identifier.wosWOS:000799210500003
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorcakmak, Uekriye
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_20250323
dc.subjectDiamide
dc.subjectAcylation template
dc.subjectMolecular docking
dc.subjectUrease inhibition
dc.subjectBiological activity
dc.subjectSpectroscopic elucidation
dc.titleNovel diamide derivatives: Synthesis, characterization, urease inhibition, antioxidant, antibacterial, and molecular docking studies
dc.typeArticle

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