Molecular docking and in vitro anticancer studies of silver(I)-N-heterocyclic carbene complexes

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dc.contributor.authorAkkoc, Mitat
dc.contributor.authorKhan, Siraj
dc.contributor.authorYuce, Hande
dc.contributor.authorTurkmen, Nese Basak
dc.contributor.authorYasar, Seyma
dc.contributor.authorYasar, Sedat
dc.contributor.authorOzdemir, Ismail
dc.date.accessioned2026-06-19T06:39:56Z
dc.date.available2026-06-19T06:39:56Z
dc.date.issued2022
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractA series of symmetric and unsymmetrical benzimidazolium-based N-heterocyclic carbene (NHC) precursors (1a-i) and their silver complexes (2a-i) have been synthesized. The Ag(I)-NHC complexes were characterized by H-1, C-13 {H-1} NMR, FTIR, LC/MS-QTOF, and elemental analysis. Anticancer and cytotoxic activity of all Ag(I)-NHC complexes were tested against healthy fibroblast cell line (L929), breast cancer cell line (MCF-7), and neuro-blastoma cell line (SH-SY5Y) by MTS [3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4sulfo-phenyl)-2H-tetrazolium] assay. The 2b, 2c, 2e, 2g, 2h, and 2i complexes showed higher cytotoxicity than cisplatin against SH-SY5Y and MCF-7 and lower cytotoxic activity against L929 cell lines. Because of their high cytotoxic activity against cancer cells and low cytotoxicity against healthy fibroblast cell lines, the 2b, 2c, 2e, 2g, 2h, and 2i are expected to be new lead compounds. In addition, molecular docking studies were performed to explore the binding interactions of silver complexes with the enzyme to explore new anticancer compounds. Furthermore, ADME properties of all complexes were predicted to explore lead-like characteristics and may be a potential drug candidate for cancer treatment.
dc.identifier.doi10.1016/j.heliyon.2022.e10133
dc.identifier.issn2405-8440
dc.identifier.issue8
dc.identifier.orcid0000-0001-6325-0216
dc.identifier.orcid0000-0003-2907-2019
dc.identifier.orcid0000-0001-7285-2761
dc.identifier.orcid0000-0001-8641-8958
dc.identifier.orcid0000-0003-1948-452X
dc.identifier.pmid36016530
dc.identifier.scopus2-s2.0-85135938301
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.heliyon.2022.e10133
dc.identifier.urihttps://hdl.handle.net/20.500.12899/5860
dc.identifier.volume8
dc.identifier.wosWOS:000843545800007
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherCell Press
dc.relation.ispartofHeliyon
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20260612
dc.subjectHealthy Fibroblast Cell Line (L929)
dc.subjectBreast Cancer Cell Line (Mcf-7)
dc.subjectNeuroblastoma Cell Line (Sh-Sy5Y)
dc.subjectAnticancer Activity
dc.subjectSilver-N-Heterocyclic Carbene
dc.titleMolecular docking and in vitro anticancer studies of silver(I)-N-heterocyclic carbene complexes
dc.typeArticle

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