Synthesis, molecular docking and spectroscopic studies of pyridoxine carbamates as metal chelator

Abstract Herein, we have reported synthesis, characterization, molecular docking and metal chelating potential of various pyridoxine carbamates for biometals (copper, zinc and iron) via spectroscopic methods. All the derivatives showed metal chelation ability and 4g was found the most potent metal chelator, having a binding stoichiometry of 1:1 with Cu+2 ion. Interactions of metal with ligand 4g was studied and the participation of both carbamate and free –OH group in complex formation was confirmed. All the synthesized compounds showed druglikeness properties, passing the lipinki's Rule of five. According to Pass study 4a, 4b, 4d and 4h to show significant nootropic activity (Pa > 0.60) in comparison to donepezil. Fluorescence quenching study and analysis with BSA with 4g showed static quenching mechanism. Molecular docking showed probable site of binding with least binding energy of −5.9  kcal mol−1. The compound 4g also showed binding with acetylcholinesterase in UV–Vis spectrum. The study concludes that pyridoxine-carbamates are biometal chelator, possess other properties aalso like drug likeness, binding with BSA and acetylcholinetersae.