Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase

摘要：

　　A series of novel indole derivatives was synthesized as inhibitors of fructose-1,6-bisphosphatase (FBPase).Extensive structure-activity relationships were conducted and led to a potent FBPase inhibitor 3.9 with an IC50 of 0.99 μM.The binding mode of this series of indoles was predicted using CDOCKER algorithm.The results of this research will shed light on the further design and optimization of novel small molecules as FBPase inhibitors.

关键词： Fructose-1 6-Bisphosphatase inhibitor Allosteric inhibitor Indole Diabetes

作者: Jianbo Bie Shuainan Liu Jie Zhou Bailing Xu Zhufang Shen

作者单位: Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China

会议类型: 国内会议

会议名称: 第七届国际分子模拟与信息技术应用学术会议

会议地点: 苏州

会议语种:英文

页码: 126-138

在线出版日期: 2014-10-26（万方平台首次上网日期，不代表论文的发表时间）