Investigation of the properties of 1,2,4-triazole-3-thione schiff base derivatives by urease inhibition as therapeutic or agrochemical candidate molecules

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dc.contributor.authorZehir Kırkbir, Gamze
dc.contributor.authorGültekin, Ergün
dc.contributor.authorKolcuoğlu, Yakup
dc.contributor.authorBekircan, Olcay
dc.contributor.authorÇolak, Ahmet
dc.date.accessioned2024-12-11T10:20:36Z
dc.date.available2024-12-11T10:20:36Z
dc.date.issued2024
dc.departmentAÇÜ, Rektörlük, Bilim Teknoloji Uygulama ve Araştırma Merkezien_US
dc.description.abstractWith the production of bacterial urease, bacteria can provide the best conditions for colonization and survival of the stomach in acidic environment. Due to this reproductive ability, H. pylori can cause various diseases such as cancer, urinary tract infections, and peptic ulcer in human metabolism. Consequently, the discovery of substances that can inhibit urease activity holds great promise for treating certain diseases. In this study, Schiff base derivatives of 1,2,4-triazole-3-thione were synthesized in good to excellent yields. The structures of the obtained compounds were elucidated using spectroscopic techniques, such as FT-IR, ¹H-NMR and ¹³C-NMR. The urease inhibitory activities of the obtained products were evaluated against the reference inhibitor thiourea. Out of these compounds, compound 6 c exhibited the highest inhibitory effectiveness, with an IC?? value of 0.0109 ?M against refenrence inhibitor (IC??=11 ?M). Kinetic studies revealed that compound 6 c acts as a non-competitive inhibitor. According to the results of the docking studies, compound 6 c exhibited the highest binding affinity (with the lowest ?G value as ?8.4 kcal/mol) and efficiently interacted with the enzyme as a potent inhibitor among all the molecules examined in the study.
dc.identifier.doi10.1002/slct.202304002
dc.identifier.issn2365-6549
dc.identifier.issue26en_US
dc.identifier.scopusqualityQ3
dc.identifier.urihttp://dx.doi.org/10.1002/slct.202304002
dc.identifier.urihttps://hdl.handle.net/11494/5178
dc.identifier.volume9en_US
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherJohn Wiley and Sons Incen_US
dc.relation.ispartofChemistrySelect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subject1,2,4-Triazole-3-Thioneen_US
dc.subjectADMEen_US
dc.subjectDockingen_US
dc.subjectInhibitionen_US
dc.subjectUreaseen_US
dc.titleInvestigation of the properties of 1,2,4-triazole-3-thione schiff base derivatives by urease inhibition as therapeutic or agrochemical candidate moleculesen_US
dc.typeArticle

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