Design, Synthesis, Spectral Characterization, Antioxidant Activity, Molecular Docking and in silico ADMET Studies of 1, 3 Oxazepines

Abstract

In this study, we synthesised a series of novel 1, 3-oxazepine and characterized by FT-IR, 1HNMR and 13CNMR spectral studies. Docking studies are carried out for the synthesised compound using five different proteins (PDB Code: 1HNY, 1VMP, 3A4A, 6W63 and 7JRN) and it proved that all the synthesised compounds having better binding affinity in anti-oxidant (3A4A) proteins. Based on the docking result all the newly synthesised compounds are screened their antioxidant activity. The compounds showed a good activity towards antioxidant activity compared with standard. Furthermore, the SwissADME online application is used to analyses the physiochemical and pharmacokinetic features of the compounds.