Synthesis, Antioxidant and Antibacterial Potentials of Schiff Base Derivatives Containing Hydroxy Groups: Molecular Docking and ADME Approaches

In this study, hydroxyl-containing Schiff base derivatives (13–17) were synthesized and confirmed by detailed spectroscopic analyses. The antioxidant and antibacterial potentials of the synthesised compounds were evaluated. In Fe³⁺ and Cu²⁺ reduction assays, compound 7 showed the highest Fe³⁺ reducing capacity, while compound 14 exhibited the strongest Cu²⁺ reduction. In the DPPH assay, compound 8 was the most potent, with the lowest IC₅₀ value (12.24 μg/mL). In ABTS, compound 7 showed greater reducing activity than Trolox. Antibacterial results indicated clear differences between Gram-positive and Gram-negative bacteria; notably, compound 10 was highly active against Acinetobacter baumannii, exceeding gentamicin (GN) and ciprofloxacin (CIP). Molecular docking and ADME analyses further supported the findings by showing strong binding to target proteins and good drug-like properties. Overall, the derivatives demonstrated remarkable biological potential, especially antioxidant and antimicrobial activities.