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A Facile Ionic Liquid Promoted Synthesis Cholinesterase Inhibitory Activity and Molecular Modeling Study of Novel Highly Functionalized Spiropyrrolidines

机译:新型高功能螺旋吡咯烷酮的离子液体促进合成抑制胆碱酯酶活性和分子建模的研究

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摘要

A series of novel dimethoxyindanone embedded spiropyrrolidines were synthesized in ionic liquid, [bmim]Br and were evaluated for their inhibitory activities towards cholinesterases. Among the spiropyrrolidines, compound >4f exhibited the most potent activity with an IC50 value of 1.57 µM against acethylcholinesterase (AChE). Molecular docking simulation for the most active compound was employed with the aim of disclosing its binding mechanism to the active site of AChE receptor.
机译:在离子液体[bmim] Br中合成了一系列新型的嵌入二甲氧基茚满酮的螺吡咯烷,并评估了它们对胆碱酯酶的抑制活性。在螺吡咯烷酮中,化合物> 4f 表现出最强的活性,对乙酰胆碱酯酶(AChE)的IC50值为1.57 µM。为了揭示其与AChE受体活性位点的结合机理,采用了对活性最高的化合物的分子对接模拟。

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