Synthesis, Enzyme Inhibition, and in Silico Studies of Amino Acid Schiff Bases

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dc.contributor.authorTas, Nilay Akkus
dc.contributor.authorSenocak, Aysegul
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTuzun, Burak
dc.contributor.authorKaradag, Ahmet
dc.date.accessioned2024-10-26T18:09:50Z
dc.date.available2024-10-26T18:09:50Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this research, novel complexes of Zn(II) were produced using amino acid Schiff bases. First, new Schiff bases were synthesized from the reaction of 3-methoxy-2-hydroxybenzaldehyde (o-vanillin) and amino acid methyl esters (isoleucine, phenylalanine, methionine). The synthesis of new complexes was carried out by the reaction of these Schiff bases and Zn(OAc)(2).2H(2)O. The structures of the synthesized complexes were elucidated using elemental analysis, FT-IR, NMR, UV-vis spectroscopy, and thermal analysis techniques. In this research, we synthesized new complexes of Zn(II) with amino acid Schiff bases labeled as 1a-1c. We then examined their impact on specific metabolic enzymes, namely acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The results showed that the molecules exhibited potent inhibitory activities against all targets compared to the standard inhibitor as indicated by IC50 values. Ki values of the compounds for AChE and BChE enzymes were obtained in the range of 78.04 +/- 8.66-111.24 +/- 12.61 and 24.31 +/- 3.98-85.18 +/- 7.05 mu M, respectively. Molecular docking calculations were performed to investigate the biological activities of the metal complexes. The Protein Ligand Interaction Profiler (PLIP) was used to study the chemical interactions of metal complexes with enzymes.
dc.identifier.endpage1093
dc.identifier.issn1021-9986
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85201564814
dc.identifier.scopusqualityQ3
dc.identifier.startpage1083
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30270
dc.identifier.volume43
dc.identifier.wosWOS:001315952600001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherJihad Daneshgahi
dc.relation.ispartofIranian Journal of Chemistry & Chemical Engineering-International English Edition
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAmino acid Schiff base
dc.subjectZn(II) complexes
dc.subjectBioactivity
dc.subjectDocking
dc.subjectPLIP
dc.titleSynthesis, Enzyme Inhibition, and in Silico Studies of Amino Acid Schiff Bases
dc.typeArticle

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