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.

中文翻译：

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果糖-1,6-双磷酸酶的变构抑制剂7-硝基-1 H-吲哚-2-羧酸衍生物的设计，合成及生物学评价

合成了一系列新颖的吲哚衍生物作为果糖-1,6-双磷酸酶（FBPase）的抑制剂。进行了广泛的结构-活性关系，并导致了有效的FBPase抑制剂3。9的IC ₅₀为0.99μM。使用CDOCKER算法预测了该系列吲哚的结合方式。这项研究的结果将为进一步设计和优化新型小分子作为FBPase抑制剂提供参考。