HALOGEN-SUBSTITUTED THIAZOLE-LINKED SCHIFF BASE DERIVATIVES AS POTENT ANTIOXIDANT AGENTS: GREEN SYNTHESIS, DPPH RADICAL SCAVENGING AND MOLECULAR DOCKING AGAINST ASCORBATE PEROXIDASE (PDB ID: 6XV4)
A novel series of structurally diverse Thiazole-Linked Schiff base derivatives (LM-1 to LM-10) was synthesisedviaa three-step protocol involving nucleophilic substitution, Boc deprotection and Schiff base formation under mildconditions. Lemon juice was used as an efficient green catalyst and ethanol as the solvent, yielding the target compounds in 85–95% isolated yields. The structures were confirmed by IR, 1H NMR, 13C NMR, and massspectrometry. The derivatives exhibited significant antioxidant activity, and compound LM-7 showed the highest radical scavenging potential. Molecular docking against PDB ID: 6XV4 revealed strong binding affinities for LM-7, LM-5 and LM-8, indicating potential multifunctional activity. In-silico ADME analysis suggested favourable oral bioavailability and drug-likeness for the series. This research contributes significantly to the field of medicinal chemistry by providing a rational, green, and computationally validated approach for the development of novel antioxidant scaffolds. The findings align with SDG-3 (Good Health and Well-being) by addressing oxidative stressrelated diseases and laying a foundation for future in vitro and in vivo studies, ultimately guiding the rational designof more effective and bioavailable antioxidant therapeutics.
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