Mashita Okishi, Koishihara Hikaru, Fukui Kosuke, Nakamura Hidemitsu, Asami Tadao
Department of Applied Biological Chemistry, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan.
Department of Biochemistry, King Abdulaziz University, Jeddah, Saudi Arabia.
J Pestic Sci. 2016 Aug 20;41(3):71-78. doi: 10.1584/jpestics.D16-028.
Knowledge about strigolactone biosynthesis and signaling is increasing and the crystal structure of strigolactone receptor protein D14 has been resolved. Although a variety of strigolactone biosynthesis inhibitors and strigolactone agonists are known, no inhibitors of strigolactone signaling have been reported. Here, we conducted virtual screening to identify chemical regulators that inhibit SL reception. We used LigandScout to analyze a pharmacophore model based on structural information about D14 protein and complex D14-D-OH (a hydrolysis product of strigolactone formed by D14). We identified a candidate compound, XM-47, and confirmed that it inhibits D14-SLR1 and D14-D53 interactions. A possible product of XM-47 hydrolysis, 2-methoxy-1-naphthaldehyde (2-MN), inhibits D14-SLR1 and D14-D53 interactions and restores the growth of rice tillering buds suppressed by strigolactone.
关于独脚金内酯生物合成和信号传导的知识不断增加,独脚金内酯受体蛋白D14的晶体结构已得到解析。尽管已知多种独脚金内酯生物合成抑制剂和独脚金内酯激动剂,但尚未有独脚金内酯信号传导抑制剂的报道。在此,我们进行了虚拟筛选以鉴定抑制独脚金内酯信号接收的化学调节剂。我们使用LigandScout基于D14蛋白和复合物D14-D-OH(由D14形成的独脚金内酯水解产物)的结构信息分析药效团模型。我们鉴定出一种候选化合物XM-47,并证实它抑制D14-SLR1和D14-D53的相互作用。XM-47水解的一种可能产物2-甲氧基-1-萘甲醛(2-MN)抑制D14-SLR1和D14-D53的相互作用,并恢复被独脚金内酯抑制的水稻分蘖芽的生长。