Abstract
This study reports the synthesis of a series of oxazepine derivatives via a condensation reaction
between amines and various benzaldehyde derivatives, using benzene as the solvent. The resulting
intermediates were subsequently reacted with pyridine-5,7-dione anhydride in dry benzene to afford oxazepine
derivatives (H1–H6). The synthesized compounds were characterized by Fourier-transform infrared (FT-IR)
spectroscopy, proton nuclear magnetic resonance (¹H-NMR) spectroscopy, and mass spectrometry. Reaction
progress was monitored using thin-layer chromatography (TLC).
The antioxidant activity of compounds H1–H6 was evaluated and compared with that of vitamin C. In addition,
molecular docking studies were performed for selected compounds (H1, H4, and H6) against tyrosinase (PDB
ID: 3NM8) to identify optimal binding sites and evaluate interactions with neighboring residues. The docked
complexes exhibited RMSD values of 1.16, 1.40, and 1.30 Å for H1, H4, and H6, respectively. Among the tested
compounds, H4 showed the highest binding affinity, in good agreement with the experimental results.
Overall, the synthesized oxazepine derivatives demonstrated moderate antioxidant activity, warranting further
in vivo investigation.