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

Author

Bie, Jianbo, Liu, Shuainan, Zhou, Jie, Xu, Bailing, and Shen, Zhufang

Subjects
*CARBOXYLIC acid derivatives, *ALLOSTERIC enzymes, *FRUCTOSE bisphosphatase, *ENZYME inhibitors, *CHEMICAL synthesis, *CARBOXYLIC acids, *SMALL molecules, *DRUG design
Abstract

Abstract: 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 0.99μM. 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. [Copyright &y& Elsevier]

Published
2014
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