title: Design and syntheses of novel N'-((4-oxo-4H-chromen-3-yl)methylene)benzohydrazide as inhibitors of cyanobacterial fructose-1,6-/sedoheptulose-1,7-bisphosphatase.
abstract: 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.
authors.affiliation: Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of Education, Wuhan 430079, China.
authors.forename: Qi-Dong
authors.initials: QD
authors.lastname: Tu
authors.forename: Ding
authors.initials: D
authors.lastname: Li
authors.forename: Yao
authors.initials: Y
authors.lastname: Sun
authors.forename: Xin-Ya
authors.initials: XY
authors.lastname: Han
authors.forename: Fan
authors.initials: F
authors.lastname: Yi
authors.forename: Yibamu
authors.initials: Y
authors.lastname: Sha
authors.forename: Yan-Liang
authors.initials: YL
authors.lastname: Ren
authors.forename: Ming-Wu
authors.initials: MW
authors.lastname: Ding
authors.forename: Ling-Ling
authors.initials: LL
authors.lastname: Feng
authors.forename: Jian
authors.initials: J
authors.lastname: Wan
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry; D001426:Bacterial Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000235:genetics; D002867:Chromones / Q000138:chemical synthesis* / Q000737:chemistry; D000458:Cyanobacteria / Q000737:chemistry* / Q000201:enzymology; D015195:Drug Design; D004926:Escherichia coli / Q000235:genetics; D006597:Fructose-Bisphosphatase / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000235:genetics; D006835:Hydrazones / Q000138:chemical synthesis* / Q000737:chemistry; D062105:Molecular Docking Simulation; D010744:Phosphoric Monoester Hydrolases / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000235:genetics; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics
chemical_list: D000900:Anti-Bacterial Agents; D001426:Bacterial Proteins; D002867:Chromones; D006835:Hydrazones; D011994:Recombinant Proteins; D006597:Fructose-Bisphosphatase; D010744:Phosphoric Monoester Hydrolases; C022627:sedoheptulose-bisphosphatase