Sugiura Airi, Horoiwa Shinri, Aoki Takanori, Takimoto Seisuke, Yamagami Ayumi, Nakano Takeshi, Nakagawa Yoshiaki, Miyagawa Hisashi
Graduate School of Agriculture, Kyoto University, Kyoto 606-8502, Japan.
Gene Discovery Research Group, RIKEN Center for Sustainable Resource Science, Wako, Saitama 351-0198, Japan.
J Pestic Sci. 2017 Aug 20;42(3):105-111. doi: 10.1584/jpestics.D17-035.
Fourteen compounds screened from 5 million compounds were submitted to bioassay to find brassinolide (BL) agonists/antagonists against . Of these, two -benzoyl-'-phenylpiperazine (NBNPP)-type compounds showed antagonistic activity; however, none showed agonistic activity against . The substituents at the benzoyl moiety of NBNPP were changed to OH groups to derive -(3,4-dihydroxybenzoyl)-'-(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 and , 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 (ED) was determined as 0.79 nmol/plant from the dose-response curve for RLIA.
从500万种化合物中筛选出的14种化合物被送去进行生物测定，以寻找油菜素内酯（BL）的激动剂/拮抗剂。其中，两种N-苯甲酰基-N'-苯基哌嗪（NBNPP）类化合物表现出拮抗活性；然而，没有一种对……表现出激动活性。将NBNPP苯甲酰部分的取代基改为羟基，得到了N-(3,4-二羟基苯甲酰基)-N'-(4-丁酰基-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显著抑制了已知为BL作用标记基因的……和……的基因表达。这种新型的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，其50%有效剂量（ED）的活性确定为0.79 nmol/株。
