Synthesis, biological and computational evaluation of benzoxazole hybrid analogs as potential anti-Alzheimer's agents

Abstract

Aim: Current study aims exploration of bis-benzoxazole bearing bis-Schiff base scaffolds (1–16) as anti-Alzheimer's agents.

Materials & methods: 2-aminophenol is used as starting materials which react with different reagents in different step to give us bis-benzoxazole bearing bis-Schiff base analogs. NMR and HREI-MS techniques were used for characterization. All derivatives demonstrated varied range of activities with IC50 values 1.10 ± 0.40–24.50 ± 0.90 μM against acetylcholinesterase (AChE) and 1.90 ± 0.70–28.60 ± 0.60 μM against butyrylcholinesterase (BuChE) in contrast to donepezil. In both cases, analog-3 was found most potent. Molecular docking explored modes of interactions between scaffolds and receptor sites of targeted enzymes.

Conclusion: This study offering promising approach for optimization and development of potent inhibitors of cholinesterase enzymes.