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首页> 外文期刊>Journal of pesticide science >Discovery of a nonsteroidal brassinolide-like compound, NSBR1
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Discovery of a nonsteroidal brassinolide-like compound, NSBR1

机译：发现非甾体芸苔醛样化合物，NSBR1

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Fourteen compounds screened from 5 million compounds in silico were submitted to bioassay to find brassinolide (BL) agonists/antagonists against Arabidopsis thaliana. Of these, two N-benzoyl-N'-phenylpiperazine (NBNPP)-type compounds showed antagonistic activity; however, none showed agonistic activity against A. thaliana. The substituents at the benzoyl moiety of NBNPP were changed to OH groups to derive N-(3,4-dihydroxybenzoyl)-N'-(4-butanoyl-2-fluorophenyl)pyrazine, which was named NSBR1. NSBR1 was rationally designed based on docking simulations and molecular dynamics. NSBR1 significantly suppressed the gene expression of CPD and BR6-ox2, which are known as marker genes for the action of BL. This novel NSBR1 was also effective in the rice lamina inclination assay (RLIA), and the activity in terms of the 50% effective dose (ED50) was determined as 0.79 nmol/plant from the dose-response curve for RLIA. (C) Pesticide Science Society of Japan.
机译：从500万个硅片化合物中筛选出14个化合物进行生物测定，以发现油菜素内酯（BL）对拟南芥的激动剂/拮抗剂。其中，两种N-苯甲酰-N'-苯基哌嗪（NBNPP）类化合物表现出拮抗活性；然而，没有一个对拟南芥表现出激动活性。将NBNPP苯甲酰基部分的取代基改为OH基团，得到N-（3,4-二羟基苯甲酰基）-N'-（4-丁酰-2-氟苯基）吡嗪，命名为NSBR1。NSBR1是基于对接模拟和分子动力学合理设计的。NSBR1显著抑制CPD和BR6-ox2的基因表达，这两种基因被称为BL作用的标记基因。这种新型NSBR1在水稻叶片倾斜试验（RLIA）中也有效，根据RLIA的剂量-反应曲线，50%有效剂量（ED50）的活性被确定为0.79 nmol/株。（C） 日本农药科学协会。

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