1,2,4-Triazole-Acetamide Conjugates as hEGFR Inhibitors: Synthesis, Anticancer Evaluation, and In Silico Studies

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dc.contributor.authorBulbul, Bahadir
dc.contributor.authorKulabas, Necla
dc.contributor.authorGurboga, Merve
dc.contributor.authorOzakpinar, Ozlem Bingol
dc.contributor.authorCakmak, Ummuhan
dc.contributor.authorTuncay, Fulya Oz
dc.contributor.authorKucukguzel, Ilkay
dc.date.accessioned2026-07-01T11:40:16Z
dc.date.available2026-07-01T11:40:16Z
dc.date.issued2026
dc.departmentDüzce Üniversitesi
dc.description.abstractA series of novel 1,2,4-triazole-acetamide derivatives was synthesized and evaluated for anticancer and hEGFR inhibitory activity. The compounds were obtained via multistep synthesis and characterized by spectroscopic methods. Cytotoxicity was tested against PC-3, MCF-7, A549, and K562 cell lines. Compounds 18, 19, and especially 24 showed notable antiproliferative effects, with compound 24 exhibiting higher selectivity and potency than gefitinib. It also induced apoptosis and inhibited migration in A549 and PC-3 cells, while selectively promoting invasion in PC-3, suggesting EMT-related behavior. In vitro kinase assays revealed compound 20 as the most potent hEGFR inhibitor (IC50 = 43.8 +/- 1.3 nM). Molecular docking and 200 ns molecular dynamics simulations confirmed its stable interaction with EGFR, particularly involving Cys797. These findings highlight compounds 20 and 24 as promising candidates for further development as EGFR-targeted anticancer agents.
dc.identifier.doi10.1002/cbdv.202503299
dc.identifier.issn1612-1872
dc.identifier.issn1612-1880
dc.identifier.issue1
dc.identifier.orcid0000-0001-8719-2436
dc.identifier.orcid0000-0003-0200-7882
dc.identifier.pmid41532806
dc.identifier.scopus2-s2.0-105027347537
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1002/cbdv.202503299
dc.identifier.urihttps://hdl.handle.net/20.500.12684/23734
dc.identifier.volume23
dc.identifier.wosWOS:001680394900009
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistry & Biodiversity
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260623
dc.subject[Keyword Not Available]
dc.title1,2,4-Triazole-Acetamide Conjugates as hEGFR Inhibitors: Synthesis, Anticancer Evaluation, and In Silico Studies
dc.typeArticle

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