Quantitative Structure-Activity Relationships of Herbicidal <i>N</i>-Alkyl-<i>N</i>-(4-substituted benzyl)-4-chloro-2-pentenamides against <i>Echinochloa oryzicola</i>

Abstract

The herbicidal activity of N-alkyl-N-(4-substituted benzyl)-4-chloro-2-pentenamides against a barnyard grass species, Echinochloa oryzicola, was evaluated, and the potency variations were quantitatively analyzed using physicochemical parameters for the N-alkyl and the benzyl-benzene ring substituents in the amide moiety. The results indicated that the herbicidal potency was parabolically related with the total hydrophobicity of the amide moiety. The electron-withdrawing property of the benzene-ring substituents as well as their hydrogen-bonding accepting ability was significant in potentiating the herbicidal activity.

Protoporphyrinogen oxidase inhibitors discovered by Artificial Intelligence platform

“…The predictive ability of the Agresense artificial intelligence algorithm system for rational identification of the mode of action of novel molecules was confirmed post facto following extensive literature searches that identified earlier papers describing the herbicidal activity of related alkenamide compounds (Matsunari et al, 1999a;Matsunari et al, 1999b). The activity of these compounds was lightdependent and was later associated with inhibition of PPO (Hiraki et al, 2002;Matsunari et al, 2002).…”

Novel Artificial Intelligence platform leads to the discovery of new protoporphyrinogen oxidase inhibitors

“…The predictive ability of the Agresense arti cial intelligence algorithm system for rational identi cation of the mechanism of action of novel molecules was con rmed post facto following extensive literature searches that identi ed earlier papers describing the herbicidal activity of related alkenamide compounds. 20,21 The activity of these compounds was light-dependent and was later on associated with inhibition of PPO. 22,23 Docking study Docking studies were performed to further understand the interaction between AGR001 and AGR002 with the catalytic domain of PPO.…”