Bioorganic & Medicinal Chemistry ( IF 3.3 ) Pub Date : 2013-04-15 , DOI: 10.1016/j.bmc.2013.04.003 Qi-Dong Tu , Ding Li , Yao Sun , Xin-Ya Han , Fan Yi , Yibamu Sha , Yan-Liang Ren , Ming-Wu Ding , Ling-Ling Feng , Jian Wan
Cyanobacterial fructose-1,6-/sedoheptulose-1,7-bisphoshatase (Cy-FBP/SBPase) is an important target enzyme for finding inhibitors to solve harmful algal bloom (HAB). In this study, as potential inhibitors of Cy-FBP/SBPase, a series of novel chromone-connecting benzohydrazone compounds (Novel N′-((4-oxo-4H-chromen-3-yl)methylene)benzohydrazide) were designed and synthesized. Their inhibitory activities against Cy-FBP/SBPase were further examined in vitro. Some of these compounds, such as f6–f8, f11, f12 and f16, exhibit higher inhibitory activities (IC50 = 11.2–16.1 μM), especially, the compound f7 was identified as the most potent inhibitor with IC50 value of 11.2 μM. The probable binding-mode of compound f7 was further analyzed carefully by molecular docking methods. These results indicate that compound f7 could be used as a lead compound for further optimization and might have potential to be developed as a new algicide.
中文翻译:
![](https://scdn.x-mol.com/jcss/images/paperTranslation.png)
设计和合成新型N '-((4-oxo-4 H -chromen-3-yl)亚甲基)苯甲酰肼作为蓝藻果糖-1,6- /七庚糖-1,7-双磷酸酶的抑制剂
蓝藻果糖-1,6- / sedoheptulose-1,7-双磷酸酶(Cy-FBP / SBPase)是寻找抑制剂来解决有害藻华(HAB)的重要靶标酶。在这项研究中,作为Cy-FBP / SBPase的潜在抑制剂,设计了一系列新颖的色酮连接苯并hydr化合物(Novel N '-(((4-oxo-4 H -chromen-3-yl)亚甲基)苯并酰肼),合成的。在体外进一步检查了它们对Cy-FBP / SBPase的抑制活性。其中一些化合物,例如f6 - f8,f11,f12和f16,表现出更高的抑制活性(IC 50 = 11.2-16.1μM),尤其是化合物f7被鉴定为最有效的抑制剂,IC 50值为11.2μM。通过分子对接方法进一步仔细分析了化合物f7的可能结合方式。这些结果表明,化合物f7可以用作进一步优化的先导化合物,并且有可能被开发为新型杀藻剂。