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

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dc.authoridAKKOÇ, Mitat/0000-0001-8641-8958
dc.authoridbasak, nese/0000-0001-5566-8321
dc.authoridyuce, hande/0000-0003-2907-2019
dc.authoridyasar, sedat/0000-0001-7285-2761
dc.authorwosidAKKOÇ, Mitat/AAJ-5780-2020
dc.authorwosidYaşar, Şeyma/ABI-8055-2020
dc.authorwosidbasak, nese/ABH-5495-2020
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.accessioned2024-08-04T20:52:15Z
dc.date.available2024-08-04T20:52:15Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
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.en_US
dc.identifier.doi10.1016/j.heliyon.2022.e10133
dc.identifier.issn2405-8440
dc.identifier.issue8en_US
dc.identifier.pmid36016530en_US
dc.identifier.scopus2-s2.0-85135938301en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.heliyon.2022.e10133
dc.identifier.urihttps://hdl.handle.net/11616/100845
dc.identifier.volume8en_US
dc.identifier.wosWOS:000843545800007en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherElsevier Sci Ltden_US
dc.relation.ispartofHeliyonen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectHealthy fibroblast cell line (L929)en_US
dc.subjectBreast cancer cell line (MCF-7)en_US
dc.subjectNeuroblastoma cell line (SH-SY5Y)en_US
dc.subjectAnticancer activityen_US
dc.subjectSilver-N-heterocyclic carbeneen_US
dc.titleMolecular docking and in vitro anticancer studies of silver(I)-N-heterocyclic carbene complexesen_US
dc.typeArticleen_US

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