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

Abstract

Abstract In this study, we synthesised a series of novel 1, 3‐oxazepine and characterized by FT‐IR, 1 HNMR and 13 CNMR 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.