Design, Synthesis, and Herbicidal Activity of Pyrimidinedione-Benzamide Derivatives as Potential Protoporphyrinogen IX Oxidase Inhibitors.

Authors

Jing-Rui Liu, Yajun Peng, Zhengliang Luo, Chujian Ma, Changhao Yin, Changsheng Ma, Wenyong Jin, Lamei Wu, Dingfeng Luo, Lianyang Bai

Published in

Journal of agricultural and food chemistry. Volume 74. Issue 42. Pages 32895-32903. Oct 28, 2026.

Abstract

Weeds cause significant yield losses worldwide, and herbicides are essential for their control. Protoporphyrinogen IX oxidase (PPO) is a well-validated herbicide target. In this study, a series of pyrimidinedione benzamide derivatives (A1-A37) were designed, synthesized, and evaluated for herbicidal activity. Most compounds showed excellent activity against dicotyledonous weeds at 37.5 g a.i./ha, and compounds A13 and A20 maintained over 80% inhibition of Amaranthus retroflexus even at 2.34 g a.i./ha. Compounds A7, A13, and A20 displayed broad-spectrum activity against eight weed species, favorable crop safety to wheat and corn, and low toxicity to honey bees. Surface plasmon resonance (SPR) assays confirmed their affinity to Nicotiana tabacum PPO (NtPPO) with KD values of 0.819-2.66 nM, and molecular docking combined with molecular dynamics simulations provided insights into their binding modes. These results suggest that A7, A13, and A20 could be promising PPO inhibitor candidates and provide a useful basis for further optimization.

PMID:
42949346
Bibliographic data and abstract were imported from PubMed on 28 Oct 2026.

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