New Azo-Azomethine Compounds: Comprehensive Evaluation of In Silico Biological Activities, ADMEt Profiling, and In Vitro Antioxidant Properties

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dc.contributor.authorYesil, Tolga Acar
dc.date.accessioned2026-04-25T14:19:44Z
dc.date.available2026-04-25T14:19:44Z
dc.date.issued2025
dc.departmentSinop Üniversitesi
dc.description.abstractThe discovery of novel azo-azomethine compounds and the exploration of their biological activities are critical for expanding the pool of potential drug candidates. In this study, four new fluorine-substituted azo-azomethines (4a-d), containing groups such as & horbar;CF3 and & horbar;OCF3, were successfully synthesized in high yields. Their in vitro antioxidant activities were evaluated using the CUPRAC method, and the results indicate that all compounds demonstrated higher TEAC values compared to the standard antioxidant Trolox. Notably, compound 4d exhibited the highest value of 2.22. A comparative analysis indicated that the antioxidant activity was influenced not only by the presence of fluorine-based substituents but also by the number of hydroxyl (& horbar;OH) groups in their structures. The ADMEt properties were also assessed, revealing that the synthesized compounds adhered to Lipinski's rule of five. Additionally, molecular docking studies were performed to examine various biological activities, targeting specific proteins involved in disease mechanisms. The findings revealed that; Among the compounds, the 4b-2XIR complex displayed the highest docking score of -11.0 kcal/mol, indicating strong binding affinity. These findings suggest that the synthesized azo-azomethine compounds have significant potential as drug candidates for the treatment of specified diseases.
dc.identifier.doi10.1002/slct.202405875
dc.identifier.issn2365-6549
dc.identifier.issue12
dc.identifier.orcid0000-0001-5983-8447
dc.identifier.scopus2-s2.0-105001717490
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://doi.org/10.1002/slct.202405875
dc.identifier.urihttps://hdl.handle.net/11486/8141
dc.identifier.volume10
dc.identifier.wosWOS:001454133000001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorYesil, Tolga Acar
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistryselect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260420
dc.subjectADMEt profiling
dc.subjectAzo compounds
dc.subjectAzomethines
dc.subjectIn vitro antioxidant
dc.subjectMolecular docking
dc.titleNew Azo-Azomethine Compounds: Comprehensive Evaluation of In Silico Biological Activities, ADMEt Profiling, and In Vitro Antioxidant Properties
dc.typeArticle

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