Akademik Veri Yönetim Sistemi
Journal of Molecular Liquids, cilt.440, 2025 (SCI-Expanded, Scopus)
The effectiveness of boron-containing compounds as therapeutic agents and new drug candidates has been an active area of research in the field of medicinal chemistry, due to their simple and economical accessibility. In this study, the synergistic effect resulting from the binding of boron compounds, which possess unique chemical and physical properties, with ellagic acid, a highly bioactive compound, was investigated for its therapeutic applications. In this context, a triple-coordinated ellagic acid-based boronate ester compound (EB) and its different derivatives (EB 1 – 3 ) containing Schiff bases were synthesized under mild conditions, and their antioxidant, AChE inhibition, anti-cancer, anti-bacterial, and anti-biofilm activities were evaluated. The structures of the synthesized bioactive ellagic acid-based boronate ester molecules were characterized by FT-IR, 1H NMR, 13C NMR, 11B NMR, LC-MS/MS, UV–Vis, elemental analysis, and melting point analysis techniques. All of the synthesized boronate ester compounds exhibited antioxidant activity and AChE inhibitory effects; however, compound (EB 2 ) was identified as the most potent compound with an IC₅₀ value of 10.3 μM. In addition, compound (EB 2 ) demonstrated anti-proliferative activity against Hep2 and A-549 cancer cell lines, while showing no significant toxicity toward healthy NIH3T3 and MDCK cell lines at the same concentrations. Furthermore, the synthesized compounds exhibited antibacterial activity against both resistant and non-resistant bacterial strains. Molecular docking studies revealed that (EB 2 ) , which demonstrated notable AChE inhibition, showed binding scores of −9.479, −9.354, and − 10.607 kcal/mol against AChE receptors with PDB IDs 4EY7 , 1ZGC , and 1EVE , respectively.