Synthesis, Antifungal Activity and Molecular Docking Studies of Novel 2-Acyloxybenzamides

A series of 2-acyloxybenzamides were synthesized. The structures of the synthesized compounds were characterized by IR, 1H NMR, 13C NMR, and HRMS. Their antifungal activity against plant pathogenic fungi was evaluated. Compound 3i exhibited a 100.0% inhibition rate against M. oryzae, while compound 3b showed 90.0% inhibition against P. capsici. The corresponding EC50 values of compounds 3b (against P. capsici) and 3i (against M. oryzae) were determined to be 3.90 and 8.21 μg/mL, respectively. Molecular docking and MD simulations studies suggested that SCD enzyme may serve as a potential target for compound 3i and its related analogues.