Design, Synthesis, and Herbicidal Activity of Novel 5-Acylbarbituric Acid Derivatives Containing a Pyrimidinedione Moiety

In continuation of our efforts to identify novel herbicide lead compounds with enhanced activity, a series of eighteen 5-acylbarbituric acid derivatives containing a pyrimidinedione moiety were designed and synthesized. Their herbicidal activities were subsequently evaluated in the greenhouse. Bioas...

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Bibliographic Details
Main Authors: Ke Chen, Shumin Wang, Shuyue Fu, Wei Gao, Junehyun Kim, Phumbum Park, Rui Liu, Kang Lei
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Agronomy
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Online Access:https://www.mdpi.com/2073-4395/15/4/777
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Summary:In continuation of our efforts to identify novel herbicide lead compounds with enhanced activity, a series of eighteen 5-acylbarbituric acid derivatives containing a pyrimidinedione moiety were designed and synthesized. Their herbicidal activities were subsequently evaluated in the greenhouse. Bioassay results demonstrated that most of the newly synthesized compounds exhibited significant herbicidal efficacy at a dosage of 150 g ha<sup>−1</sup>, with compounds <b>BA-I-2</b>, <b>BA-II-2</b>, <b>BA-III-2</b>, and <b>BA-III-5</b> achieving complete inhibition of the tested weeds. Further investigation into the herbicidal spectrum revealed that compounds <b>BA-II-2</b> and <b>BA-III-2</b> displayed excellent herbicidal activity against 14 and 13 out of 16 tested weed species, respectively, with inhibition rates exceeding 80% at dosages as low as 18.8 g ha<sup>−1</sup>. More promisingly, compound <b>BA-III-2</b> was found to be safe for <i>Triticum aestivum</i> at a dosage of 37.5 g ha<sup>−1</sup>. Molecular mode of action studies, including phenotypic observations, membrane permeability evaluations, and molecular docking, suggested that <b>BA-III-2</b> may function as a protoporphyrinogen IX oxidase (PPO) inhibitor. The present work indicates that <b>BA-III-2</b> holds potential as a PPO-inhibiting herbicide for effective weed control in wheat fields and is expected to provide important theoretical foundations for the development of novel and highly efficient herbicides.
ISSN:2073-4395