Synthesis of Novel Acylhydrazone-Oxazole Hybrids and Docking Studies of SARS-CoV-2 Main Protease
Verónica G. García-Ramírez, Abel Suárez-Castro, Ma. Guadalupe Villa-Lopez, Erik Díaz‐Cervantes, Luis Chacón-Garcı́a, Carlos Jesus Cortés-Garcia · 2020
A novel synthetic strategy to obtain acylhydrazone-oxazole hybrids in three-step reactions in moderate to good yields is reported. The key step reaction consists in a Van Leusen reaction using a bifunctional component of both an aldehyde and a functional group. The target molecules were evaluated via in-silico by molecular docking with the main protease enzyme of SARS-Cov-2, where two acyl hydralazine-oxazoles yielded good predicted free energy values in comparison to the co-crystalized ligand.