Novel Trifluoromethyl Containing Azo-Imin compounds: Synthesis, Characterization, and Investigation of Antioxidant Properties Using In Vitro and In Silico methods

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dc.contributor.authorYeşil, Tolga Acar
dc.date.accessioned2025-03-23T19:11:47Z
dc.date.available2025-03-23T19:11:47Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractIn this study, two new molecules 4-((4-methoxyphenyl)diazenyl)-2-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol (3a) and 2-(((4-methoxyphenyl)imino)methyl)-4-((4-(trifluoromethyl)phenyl)diazenyl)phenol (3b) were synthesized. The 1H-NMR, FTIR, UV-vis, and Mass analysis techniques were used to confirm the structures of the 3a and 3b. CUPRAC in vitro antioxidant activity method was also used to investigate the antioxidant properties of synthesized compounds. The compounds' ADME and toxicity parameters were also computed using SwissADME, Protox-II web servers respectively. In silico Molecular docking studies were conducted utilizing four different antioxidant proteins, such as PDB ID: 1N8Q for Lipoxygenase, 1OG5 for CYP2C9, 2CDU for NADPH oxidase, and 4JK4 for Bovine Serum Albumin, to investigate the potential antioxidant properties of the synthesized compounds 3a and 3b. ADME and toxicity (ADMEt) results showed that pharmacokinetic, physico-chemical, drug-similarity, and toxicity data were all appropriate for a potential bioactive agent. Molecular docking results have shown that all docking results were higher than standard (Trolox). The best docking score (-9.4 kcal/mol) was between 3b ligand and 2CDU protein. TEAC values of compounds were also higher than standard which was in harmony with molecular docking scores. From all obtained data It was concluded that the compound 3b has the potential antioxidant agent.
dc.identifier.doi10.19113/sdufenbed.1517015
dc.identifier.endpage471
dc.identifier.issn1300-7688
dc.identifier.issn1308-6529
dc.identifier.issue3
dc.identifier.startpage460
dc.identifier.trdizinid1287978
dc.identifier.urihttps://doi.org/10.19113/sdufenbed.1517015
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1287978
dc.identifier.urihttps://hdl.handle.net/11486/3647
dc.identifier.volume28
dc.indekslendigikaynakTR-Dizin
dc.institutionauthorYeşil, Tolga Acar
dc.language.isoen
dc.relation.ispartofSüleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_TR_20250323
dc.subjectAntioxidant
dc.subjectMolecular Docking
dc.subjectSchiff Base
dc.subjectADMEt
dc.subjectCUPRAC Method
dc.titleNovel Trifluoromethyl Containing Azo-Imin compounds: Synthesis, Characterization, and Investigation of Antioxidant Properties Using In Vitro and In Silico methods
dc.typeArticle

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