Discovery of 3,3-di(indolyl)indolin-2-one as a novel scaffold for α-glucosidase inhibitors: In silico studies and SAR predictions

作者: Guangcheng Wang , Jing Wang , Zhenzhen Xie , Ming Chen , Luyao Li

DOI: 10.1016/J.BIOORG.2017.05.006

关键词: AcarboseIn vitroHydrogen bondOxindoleStereochemistryActive siteIndole testChemistryHydrophobic effectEnzyme

摘要: Abstract 3,3-Di(indolyl)indolin-2-ones 4a - 4n were synthesized and evaluated for their in vitro α-glucosidase inhibitory activity. These newly compounds showed moderate to potent activity with IC 50 range from 5.98 ± 0.11 145.95 ± 0.46 μM, when compared the standard drug acarbose. Among this series of 3,3-di(indolyl)indolin-2-ones, compound 4j  (5.98 ± 0.11 μM) having a 2-fluorobenzyl group on indole ring was found be most active compound. Molecular docking studies that have high binding affinities site enzyme through hydrogen bonds, arene-cation, π-π stacking hydrophobic interactions. This study these 3,3-di(indolyl)indolin-2-ones as new class inhibitors.

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