期刊论文

Ren, Yanliang;Wan, Jian

英文

Bioorganic & Medicinal Chemistry

0968-0896

2019

27

5

805-812

10.1016/j.bmc.2019.01.023

Herein, using a new Fragment-Based Virtual Screen (FBVS) strategy developed in our group, two series of novel FBA-II inhibitors (thiourea derivatives) were de novo discovered based on the active site of CyFBA-II. In comparison, most of the N-(2-benzoylhydrazine-1-carbonothioyl) benzamide derivatives (L14∼L22) exhibit higher CyFBA-II inhibitory activities compared to N-(phenylcarbamothioyl) benzamide derivatives (L1∼L13). When the OH was introduced on the benzoylhydrazine moiety of the benzamide

本校为第一且通讯机构

By using a new Fragment-Based Virtual Screen strategy, two series of novel FBA-II inhibitors (thiourea derivatives) were de novo discovered based on the active site of fructose-1, 6-bisphosphate aldolase from Cyanobacterial (CyFBA). In comparison, most of the N-(2-benzoylhydrazine-1-carbonothioyl) benzamide derivatives (L14∼L22) exhibit higher CyFBA-II inhibitory activities compared to N-(phenylcarbamothioyl) benzamide derivatives (L1∼L13). Especially, compound L14 not only shows higher CyFBA-II activity (K i = 0.65 μM), but also exhibits mo...