Synthesis, characterization, molecular docking, and investigation of the antioxidant, antibacterial, antibiofilm, and AChE inhibitory activities of new benzimidazole–nicotinamide hybrid salts
Journal of Molecular Structure, cilt.1378, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1378
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.molstruc.2026.147154
- Dergi Adı: Journal of Molecular Structure
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: AChE, Antibacterial activity, Benzimidazole, MRSA, Nicotinamide hybrid
- Çukurova Üniversitesi Adresli: Evet
Özet
In this study, eight novel nicotinohydrazide–benzimidazolium–hydrazone hybrid derivatives were synthesized and structurally characterized by 1H NMR, 13C NMR, and FTIR analyses. The antioxidant activities of the synthesized compounds were evaluated using ABTS and DPPH radical scavenging assays. In addition, their acetylcholinesterase (AChE) inhibitory potentials were investigated.The antibacterial activities of the compounds were examined against Methicillin-resistant Staphylococcus aureus (MRSA), Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Pseudomonas aeruginosa, Acinetobacter baumannii, and Klebsiella pneumoniae. Antibiofilm activity was further evaluated against MRSA strains. Moreover, molecular docking analyses were performed for the most biologically active compounds against the 4EY7, 1MWT, 3VSL, and 3ZG5 target proteins.Among the synthesized derivatives, compound 2h exhibited the most potent antibacterial activity and, notably, demonstrated Minimum Inhibitory Concentration (MIC) values of 2 µg/mL against both MRSA and methicillin-susceptible Staphylococcus aureus (MSSA). Furthermore, compound 2h showed significant DPPH radical scavenging activity with an IC₅₀ value of 51.49 ± 0.98 µg/mL. In addition, compound 2h demonstrated remarkable acetylcholinesterase inhibitory activity with an IC₅₀ value of 4.073 ± 0.015 µg/mL. Compound 2a exhibited 63.3 ± 0.71% biofilm inhibition against MRSA. In molecular docking studies, compound 2h demonstrated a strong binding affinity toward the 4EY7 protein with a docking score of −9.491 kcal/mol.