Synthesis and characterization of schiff bases and their Ag(I) complexes containing 2,5,6-trisubstituted imidazothiadiazole derivatives: molecular docking and in vitro cytotoxic effects against nonsmall lung cancer cell line

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dc.authoridhttps://orcid.org/0009-0005-8730-9573
dc.authoridhttps://orcid.org/0000-0001-7422-2974
dc.authoridhttps://orcid.org/0000-0001-5105-8331
dc.authoridhttps://orcid.org/0000-0002-1557-6315
dc.authoridhttps://orcid.org/0000-0003-1061-6143
dc.contributor.authorMirghani, Ahmed Hamdi
dc.contributor.authorPehlivanoglu, Suray
dc.contributor.authorAlici, Hakan
dc.contributor.authorTahtaci, Hakan
dc.contributor.authorUysal, Saban
dc.date.accessioned2025-02-26T08:09:54Z
dc.date.available2025-02-26T08:09:54Z
dc.date.issued2025-01-20
dc.departmentFakülteler, Fen Fakültesi, Kimya Bölümü
dc.descriptionWe would like to thank the KBU-BAP unit for supporting this study with BAP project no: KBUBAP-23-DR-018. Bu çalışmaya KBUBAP-23-DR-018 numaralı BAP projesiyle destek veren KBÜ-BAP birimine teşekkür ederiz.
dc.description.abstractIn this study, four novels 2,5,6-trisubstituted imidazothiadiazole derivative ligands and their Ag(I) complexes were synthesized and characterized using various spectroscopic analysis techniques. First, imidazo[2,1-b][1,3,4]thiadiazole derivative (3) was obtained from the reaction of 5-amino-1,3,4-thiadiazole-2-thiol with benzyl bromide in the presence of KOH in an ethanolic medium. In the next step, the resultant compound reacted sequentially with four substituted phenacyl bromide derivatives (4a–4d) under refluxed ethanol for 24 h to obtain substituted 2-(benzylthio)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole derivatives (5–8). Compounds (9–12) were obtained by attaching a carbonyl group to carbon number 5 of the imidazothiadiazole group in these compounds with the help of Vilsmeier–Haack reagent. The resultant compounds were reacted in an ethanolic medium to synthesize the novel (13–16) ligands by adding ethylenediamine in a 1:2 molar ratio. The Ag(I) complexes of the resultant ligands were synthesized by mixing silver acetate with the ligands in a dimethyl sulfoxide medium to obtain (17–20) complexes. All the synthesized compounds were analyzed using FTIR, 1H NMR, 13C NMR, mass spectroscopy, magnetic susceptibility, ICP-OES, and thermogravimetric analysis techniques. The study also investigates the in vitro cytotoxic effect of the ligands and complexes on A549 (nonsmall cell lung cancer) cells using the MTT assay and shows that the 13, 15, and 16 ligands, together with their complexes, exhibit potent cytotoxicity. In addition, in silico molecular docking simulations were conducted both to support the in vitro cytotoxicity experiments and to ascertain the active binding sites and interactions of the ligands and complexes on the EGFR receptor. The result indicates that ligands and complexes may serve as promising candidates for further investigation as anticancer agents.
dc.description.sponsorshipFunding agency : KBU-BAP Grant number : KBUBAP-23-DR-018
dc.identifier10.1002/jbt.70142
dc.identifier.citationMirghani, A.H., Pehlivanoglu, S., Alici, H., Tahtaci, H. and Uysal, S. (2025), Synthesis and Characterization of Schiff Bases and Their Ag(I) Complexes Containing 2,5,6-Trisubstituted Imidazothiadiazole Derivatives: Molecular Docking and In Vitro Cytotoxic Effects Against Nonsmall Lung Cancer Cell Line. Journal of Biochemical and Molecular Toxicology, 39: e70142. https://doi.org/10.1002/jbt.70142
dc.identifier.doi10.1002/jbt.70142
dc.identifier.issn1095-6670
dc.identifier.issue2
dc.identifier.pmid39829402
dc.identifier.scopus2-s2.0-85215573935
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1002/jbt.70142
dc.identifier.urihttps://hdl.handle.net/20.500.14619/15088
dc.identifier.volume39
dc.identifier.wosWOS:001399296200001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakPubMed
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherJohn Wiley & Sons
dc.relation.ispartofJournal of Biochemical and Molecular Toxicology
dc.relation.ispartofseriesJournal of Biochemical and Molecular Toxicology
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectcytotoxic activity
dc.subjectimidazo[2
dc.subject1-b][1
dc.subject3
dc.subject4]thiadiazole
dc.subjectmolecular docking
dc.subjectsilver complex
dc.subjectVilsmeier–Haack reagent
dc.titleSynthesis and characterization of schiff bases and their Ag(I) complexes containing 2,5,6-trisubstituted imidazothiadiazole derivatives: molecular docking and in vitro cytotoxic effects against nonsmall lung cancer cell line
dc.typeArticle
oaire.citation.issue2
oaire.citation.volume39

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