Polyhedron, cilt.283, 2026 (SCI-Expanded, Scopus)
The [Co(BenzimCF)Cl2] complex was successfully synthesized and characterized through Fourier-transform infrared (FTIR) spectroscopy and single-crystal X-ray diffraction analysis. The biological activities of both the synthesized complex and its corresponding ligand were comprehensively investigated, including their acetylcholinesterase (AChE) inhibitory potential, as well as their antibacterial efficacy against drug-resistant strains such as methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant Escherichia coli (MDR E. coli), alongside non-resistant strains including Staphylococcus aureus (S. aureus), Enterococcus faecalis (E. faecalis), Pseudomonas aeruginosa, (P. aeruginosa) and E. coli. In addition, the anti-biofilm activities of the compounds were evaluated specifically against MRSA and MDR E. coli. At a concentration of 80 μg/mL, the complex demonstrated a 30 % inhibitory effect on AChE activity. Furthermore, the complex showed potent antibacterial activity, with a minimum inhibitory concentration (MIC) of 15.6 μg/mL against E. faecalis and 125 μg/mL against MRSA. To further elucidate the mechanism of action and support the experimental findings, molecular docking studies were conducted. The docking results indicated strong binding affinities of the complex toward key bacterial target proteins involved in vital cellular processes. The binding energies were calculated as −8.4 kcal/mol for 1JIJ (S. aureus), −10.2 kcal/mol for 3VSL (MRSA), −9.6 kcal/mol for 6ORI (E. faecalis), −12.5 kcal/mol for 6QXS (E. faecalis), and −9.6 kcal/mol for 2Z1P (E. faecalis), suggesting robust and specific molecular interactions.