Synthesis, characterization and molecular docking studies against COVID-19 proteins of novel pyrazole acrylic acid based oxadiazole and amide derivatives
Abstract: A New series of pyrazole acrylic acid based oxadiazole and amide derivatives were synthesized by microwave irradiation characterized by different spectral studies. Molecular docking studies against Structure of PanDDA analysis group deposition-Crystal Structure of COVID-19 main protease in complex with Z219104216 (PDB code- 5R82) and also the activities are compared with FDA-approved few human trial drugs such as hydroxychloroquine. To identify the hypothetical binding motif of the title compounds using VLifeMDS software by in-silico (molecular docking studies). These findings showed that the binding energy in all active compounds ranged from -28.39 to -79.53 kcal/mol. If compared to the standard -76.54 kcal/mol). Compound code 1d and 1f were found to be potent with a docking score of -79.53and -79.53 respectively.
