Synergistic Antiproliferative Activity of Newly Synthesized Benzimidazole-Based Silver(I) Complexes on MCF-7 and T47D Cell Lines, CT-DNA Interactions Supported by Computational Studies

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dc.contributor.authorMunir, Naima
dc.contributor.authorGurbuz, Navin
dc.contributor.authorChaudhry, Gul-e-Saba
dc.contributor.authorOzdemir, Ismail
dc.contributor.authorSarfraz, Muhammad
dc.contributor.authorSen, Betul
dc.contributor.authorAygun, Muhittin
dc.date.accessioned2026-04-04T13:34:43Z
dc.date.available2026-04-04T13:34:43Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractThis article reports the synthesis, characterization, and antitumor properties of newly synthesized benzimidazole-based Ag(I)-(BNHCs) complexes from their proligands. All of the compounds underwent comprehensive characterization using techniques such as 1H, COSY, 13C NMR, IR spectroscopy, electrospray ionization (ESI)-mass, elemental, and single-crystal X-ray diffraction (XRD) analysis. Density functional theory (DFT) studies were carried out to observe the electronic effects of bound ligands to modulate the selectivity and reactivity of silver complexes. Time-dependent DFT (TD-DFT) studies assessed the optical properties of synthesized complexes and were further highlighted by orbital contributions with oscillator strengths. All compounds were tested against breast cancer MCF-7 and T47D cell lines. The synergistic effects of benzimidazole-incorporated aryl constituent structuring silver complexes were also observed. Nearly all silver complexes have been found to be promising anticancer agents with the added benefit of low cytotoxic effects toward normal cells. Intriguingly, [AgL 4 (Cl)] exhibited the best cytotoxic activity among our screened complexes as IC50 values for both MCF-7 and T47D were 9 +/- 1.04 and 11 +/- 1.41, respectively. The apoptosis mode of cell death was confirmed by phosphatidylserine exposure and annexin V/PI staining imaging method. CT-DNA interactions of the most active silver complex ([AgL 4 (Cl)]) and its proligand (HL 4 (Cl)) were carried out to support the mode of compound-DNA interaction. Strong DNA binding affinities (K b) with compounds through electrostatic and intercalation modes induced structural changes in DNA. Moreover, molecular docking studies were carried out to comprehend the possible interactions of compounds with various receptors such as EGFR (epidermal growth factor receptor), VEGFR2 (vascular endothelial growth factor receptors), FGFR (fibroblast growth factor receptor), and SRC (proto-oncogene tyrosine kinase protein) of tyrosine kinase family serves as crucial receptors in breast cancer.
dc.description.sponsorshipHigher Education Commission, Pakistan [21PK070710]; Turkiye Burslari Scholarship at Inonu University Malatya Turkey
dc.description.sponsorshipThe authors express their deep gratitude to the Turkiye Burslari Scholarship at Inonu University Malatya Turkey (Scholarship ID: 21PK070710) and HEC for IRSIP Scholarship to Kyushu University, Japan.
dc.identifier.doi10.1021/acsomega.4c11048
dc.identifier.endpage13295
dc.identifier.issn2470-1343
dc.identifier.issue13
dc.identifier.orcid0000-0001-6325-0216
dc.identifier.orcid0000-0003-3201-3597
dc.identifier.orcid0000-0002-4555-8572
dc.identifier.pmid40224434
dc.identifier.scopus2-s2.0-105002402169
dc.identifier.scopusqualityQ1
dc.identifier.startpage13278
dc.identifier.urihttps://doi.org/10.1021/acsomega.4c11048
dc.identifier.urihttps://hdl.handle.net/11616/109361
dc.identifier.volume10
dc.identifier.wosWOS:001455051700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofAcs Omega
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20250329
dc.subjectRuthenium(Ii) Complexes
dc.subjectBinding Properties
dc.subjectPhosphatidylserine
dc.subjectDerivatives
dc.subjectChemistry
dc.subjectSpectra
dc.titleSynergistic Antiproliferative Activity of Newly Synthesized Benzimidazole-Based Silver(I) Complexes on MCF-7 and T47D Cell Lines, CT-DNA Interactions Supported by Computational Studies
dc.typeArticle

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