Synthesis, characterization, and biological activity of novel 1,2,4-triazole moieties: Antileishmanial, antimicrobial effects, and molecular docking studies

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dc.authoridinan, kadriye/0000-0002-5909-588X
dc.contributor.authorSuleymanoglu, Nevin
dc.contributor.authorUnver, Yasemin
dc.contributor.authorUstabas, Resat
dc.contributor.authorCelik, Fatih
dc.contributor.authorGuler, Halil Ibrahim
dc.contributor.authorDirekel, Sahin
dc.contributor.authorBektas, Kadriye Inan
dc.date.accessioned2024-08-04T21:01:17Z
dc.date.available2024-08-04T21:01:17Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractIn this study; new 1,2,4-triazole derivatives, (E)-4-(((3-methyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino) methyl)phenyl 4-methoxybenzoate (3a), (E)-4-(((3-benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino) methyl)phenyl 4-methoxybenzoate (3b) and (E)-4-(((3-(4-fluorobenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl) imino)methyl)phenyl 4-methoxy benzoate methoxy benzoate (3c) were synthesized and characterized by FTIR and NMR (1H- and 13C-) spectroscopic methods. Structural and spectral parameters were calculated by DFT/ B3LYP/6-311++G(d,p) methods. The newly synthesized compounds 3a-3c were evaluated for their antimicrobial activities against eight pathogenic microorganisms. Standard commercial drugs ampicillin and fluconazole were used as references for bacteria and yeast, respectively. The leishmanicidal activity of three different synthesized compounds against Leishmania infantum promastigotes was investigated using the microdilution method. In addition, the study attempted to investigate the interactions crucial for the antileishmanial activity of compound 3b by molecular docking analysis targeting trypanothione reductase (TRe).en_US
dc.identifier.doi10.1016/j.molstruc.2024.138724
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2024.138724
dc.identifier.urihttps://hdl.handle.net/11616/104253
dc.identifier.volume1314en_US
dc.identifier.wosWOS:001249505900001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject4-triazoleen_US
dc.subjectIR and NMR spectroscopyen_US
dc.subjectDFTen_US
dc.subjectAntimicrobial activityen_US
dc.subjectLeishmanicidal activityen_US
dc.subjectMolecular docking studyen_US
dc.titleSynthesis, characterization, and biological activity of novel 1,2,4-triazole moieties: Antileishmanial, antimicrobial effects, and molecular docking studiesen_US
dc.typeArticleen_US

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