Benzimidazole derivatives as a new scaffold of anticancer agents: Synthesis, optical properties, crystal structure and DFT calculations
Mohamed Oussama Zouaghi,
Donia Bensalah,
Sabri Hassen,
Youssef Arfaoui,
Lamjed Mansour,
Namık Özdemir,
Hakan Bülbül,
Nevin Gurbuz,
Ismail Özdemir,
Naceur Hamdi
Affiliations
Mohamed Oussama Zouaghi
Laboratory of Characterizations, Applications & Modeling of Materials (LR18ES08), Department of Chemistry, Faculty of Sciences of Tunis, University of Tunis El Manar, 2092, Tunisia
Donia Bensalah
Research Laboratory of Environmental Sciences and Technologies (LR16ES09), Higher Institute of Environmental Sciences and Technology, University of Carthage, Hammam-Lif, Tunisia
Sabri Hassen
Laboratory of Characterizations, Applications & Modeling of Materials (LR18ES08), Department of Chemistry, Faculty of Sciences of Tunis, University of Tunis El Manar, 2092, Tunisia
Youssef Arfaoui
Laboratory of Characterizations, Applications & Modeling of Materials (LR18ES08), Department of Chemistry, Faculty of Sciences of Tunis, University of Tunis El Manar, 2092, Tunisia
Lamjed Mansour
Zoology Department, College of Science, King Saud University, Saudi Arabia, P.O. Box 2455, Riyadh, 11451, Saudi Arabia
Namık Özdemir
Department of Physics, Faculty of Science, Ondokuz Mayıs University, 55139, Samsun, Turkey
Hakan Bülbül
Department of Physics, Faculty of Science, Ondokuz Mayıs University, 55139, Samsun, Turkey
Nevin Gurbuz
İnönü University, Faculty of Science and Art, Department of Chemistry, Malatya, 44280, Turkey; İnönü University, Catalysis Research and Application Center, Malatya, 44280, Turkey
Ismail Özdemir
İnönü University, Faculty of Science and Art, Department of Chemistry, Malatya, 44280, Turkey; İnönü University, Catalysis Research and Application Center, Malatya, 44280, Turkey
Naceur Hamdi
Research Laboratory of Environmental Sciences and Technologies (LR16ES09), Higher Institute of Environmental Sciences and Technology, University of Carthage, Hammam-Lif, Tunisia; Corresponding author.
The absolute necessity to fight some class of tumour is perceived as serious health concerns, and the discovery and development of effective anticancer agents are urgently needed. So, the novel benzimidazole derivatives (2a-b) were designed, synthesized, with their structures rigorously characterized using single X-ray crystallography, FT-IR, UV, and NMR spectroscopy, alongside elemental analysis. The geometric structures were optimized using density functional theory (DFT) calculations performed at the ωB97X-D/cc-pVDZ level, yielding good agreement with experimental XRD data. The studied salt complexes exhibited the ability to absorb UV light at 275 nm. Furthermore, anticancer activity of the compounds was screened against (MDA-MB-231, MCF-7, HT-29 and healthy cell line (HF)) and revealed the remarkable efficacy of select newly synthesized Benzimidazole derivatives (2a-b). Compound 2a showed relative significant higher cytotoxicity (165.02) in MDA-MB-231 cancer cell line. This underscores their promising potential in therapeutic applications, affirming their role as valuable contenders in the pursuit of novel anticancer agents.
