Akademik Veri Yönetim Sistemi
Journal of Molecular Structure, cilt.1373, 2026 (SCI-Expanded, Scopus)
This study was conducted in three stages. In the first stage, a series of aromatic Schiff bases, namely (Z)-(3-((2‑hydroxy-5-methylbenzylidene)amino)phenyl)boronic acid (5Met-Bmin), (Z)-(3-((2‑hydroxy-3-methoxybenzylidene)amino)phenyl)boronic acid (3MeO-Bmin), (Z)-(3-((2‑hydroxy-4-methoxybenzylidene)amino)phenyl)boronic acid (4MeO-Bmin), and (Z)-(3-((4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl) boronic acid (Nsal-Bmin), were synthesised and characterised by elemental analysis and spectroscopic methods (¹H NMR, ¹³C NMR, FT-IR and LC-MS). In the second stage, their antimicrobial and antibiofilm activities were evaluated against Gram-positive and Gram-negative bacteria, as well as C. albicans, ATCC 10,231. Among the compounds, 3MeO-Bmin and 5Met-Bmin exhibited the most significant activity, showing low MIC and MBC values against S. epidermidis, ATCC 35,984 and S. aureus, ATCC 29,213, along with notable fungicidal effects. In contrast, 4MeO-Bmin showed limited activity, while Nsal-Bmin displayed moderate but consistent effects. In the final stage, molecular docking studies were conducted to investigate the interactions of the synthesised compounds with bacterial and fungal enzymes. S. epidermidis, which showed the highest susceptibility, was selected for detailed analysis. 3MeO-Bmin demonstrated the strongest biological activity and most stable binding, forming five hydrogen bonds with the 1R19 protein. Additionally, interactions with the 1ZAP protein of C. albicans were investigated. Molecular dynamics simulations supported the docking results, confirming stable enzyme–ligand complexes. ADME profiling predicted favourable pharmacokinetic properties and drug-likeness. Overall, the results indicate that boron-containing Schiff bases, particularly those with methoxy substituents, are promising candidates for the development of antimicrobial agents targeting biofilm-associated infections.