Design Synthesis and Biological Evaluation of NovelN-Nitro Acid Amide Derivatives as Lead Compounds of Herbicide

Abstract

A series ofN-nitro acid amide derivatives compounds were synthesized based on the active site of target acetohydroxyacid synthase (AHAS, EC: 2.2.1.6) enzyme. All the structures of newly prepared compounds were thoroughly characterized by satisfied IR and1H NMR spectra. The IC50values against AHAS enzyme and EC50values for herbicidal activity againstAmaranthus mangostanus L.andSorghum sudanenseof all synthesized target compounds were determined. The compoundsII-10,II-21, andII-22with IC50values of 7.09 mg/L, 9.07 mg/L, and 9.11 mg/L and the compoundsII-8andII-22with EC50values of 9.87 mg/L and 19.88 mg/L against root ofAmaranthus mangostanus L.andSorghum sudanensewere illustrated, respectively. Meanwhile, the possible reasons for the lower activity of compounds were analyzed by molecular docking prediction.