Synthesis of 1,4-disubstituted-1,2,3-Triazole derivatives for investigation of inhibition and molecular docking studies against Xanthine Oxidase

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dc.authoridMirdan, Mustafa/0000-0002-8230-5531
dc.authorwosidMirdan, Mustafa/KHX-8308-2024
dc.contributor.authorMirdan, Mustafa Nabeel Mirdan
dc.contributor.authorErdemir, Guler Yagiz
dc.contributor.authorNoma, Samir Abbas Ali
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorAtes, Burhan
dc.contributor.authorAltundas, Aliye
dc.date.accessioned2024-08-04T20:54:47Z
dc.date.available2024-08-04T20:54:47Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis study evaluates the inhibition effect of new 1,4-disubstituted-1,2,3-triazoles against Xanthine Oxidase supplemented by molecular modelling. Nine compounds of 1,4-disubstituted-1,2,3-triazoles by Sharpless's approach have been synthesized in this report. The structures of the synthesized compounds were characterized using FT-IR, H-1 and C-13-NMR and Mass spectroscopies Among these synthesized molecules (5bromothiophen-2-yl)(1-(3-fluorobenzyl)-1H-1,2,3-triazole-4-yl)methanone (9f) and (5-Bromothiophen-2-yl(1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-yl)methanone (9h) showed better activity against Xanthine oxidase (XO) compared to allopurinol. In the light of the XO inhibition results, triazoles having of ketone moiety (9f-i) were found to be more active than triazoles of ketone-free (9a-e). These results were supported by docking models. The docking calculations of the target XO with nine available compounds showed good binding energies with favourable binding interactions. These findings were particularly evident that 9f (BE -7.29 kcal/mol) and 9h (BE -7.59 kcal/mol) are represented encouraging higher inhibition properties towards xanthine oxidase (XO), compared to allopurinol as a reference compound. Significant binding energies and interactions obtained by performing the docking studies are demonstrated, in particular, that the compounds 9f and 9h may be more potential bio compounds than the positive compounds, allopurinol, and febuxostat.en_US
dc.identifier.issn2347-9825
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-85175336154en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://hdl.handle.net/11616/101642
dc.identifier.volume10en_US
dc.identifier.wosWOS:001157680900001en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherScienceın Publicationsen_US
dc.relation.ispartofChemical Biology Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectTriazoleen_US
dc.subjectxanthine oxidaseen_US
dc.subjectmolecular dockingen_US
dc.subjectenzyme inhibitionen_US
dc.titleSynthesis of 1,4-disubstituted-1,2,3-Triazole derivatives for investigation of inhibition and molecular docking studies against Xanthine Oxidaseen_US
dc.typeArticleen_US

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