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

• DOI: 10.1021/acsomega.4c11048
• Publication Date: 2025-03-28T23:43:01Z
• Authors: Naima Munir; Navin Gürbüz; Gul-e-Saba Chaudhry; İsmail Özdemir; Muhammad Sarfraz; Betül Şen; Muhittin Aygün; Muhammad Naveed Z...
• Keywords: Benzimidazole; MCF-7

This article reports the synthesis, characterization, and antitumor properties of newly synthesized benzimidazole-based Ag(I)-(BNHCs) complexes from their proligands. All compounds underwent comprehensive characterization using techniques such as 1H, COSY, 13C NMR, IR spectroscopy, electrospray ionization (ESI)-mass, elemental, single-crystal X-ray diffraction (XRD) analysis. Density functional theory (DFT) studies were carried out to observe electronic effects bound ligands modulate selectivity reactivity silver complexes. Time-dependent DFT (TD-DFT) assessed optical further highlighted by orbital contributions with oscillator strengths. tested against breast cancer MCF-7 T47D cell lines. The synergistic benzimidazole-incorporated aryl constituent structuring also observed. Nearly all have been found be promising anticancer agents added benefit low cytotoxic toward normal cells. Intriguingly, [AgL 4 (Cl)] exhibited best activity among our screened IC50 values for both 9 ± 1.04 11 1.41, respectively. apoptosis mode death was confirmed phosphatidylserine exposure annexin V/PI staining imaging method. CT-DNA interactions most active complex ([AgL (Cl)]) its proligand (HL (Cl)) support compound-DNA interaction. Strong DNA binding affinities (K b) through electrostatic intercalation modes induced structural changes in DNA. Moreover, molecular docking comprehend possible various receptors EGFR (epidermal growth factor receptor), VEGFR2 (vascular endothelial receptors), FGFR (fibroblast SRC (proto-oncogene tyrosine kinase protein) family serves crucial cancer.