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Synthesis, Biological Assessment and Molecular Modeling of Racemic QuinoPyranoTacrines for Alzheimer's Disease Therapy
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-01-09 , DOI: 10.1002/slct.201702781
Mourad Chioua 1 , Estefanía Serrano 1, 2 , Youssef Dgachi 3 , Hélène Martin 4 , Daniel Jun 5 , Jana Janockova 6 , Vendula Sepsova 5 , Ondrej Soukup 6 , Ignacio Moraleda 2 , Fakher Chabchoub 3 , Lhassane Ismaili 7 , Isabel Iriepa 2 , José Marco-Contelles 1
Affiliation  

In this report we describe the synthesis, biological evaluation and molecular modeling of new tacrine analogues such as QuinoPyranTacrines (QPTs), designed by juxtaposition of 1,4‐naphthoquinone and tacrine. From these results we have identified QPT16 as a permeable, selective human acetylcholinesterase inhibitor [IC50= 1.1 ± 0.15 μM], 3.5‐fold less‐hepatotoxic than tacrine at 1000 μM concentration, and consequently, a potential new hit‐compound for further investigation targeted to find a new agent for AD therapy.

中文翻译:

外消旋喹诺吡喃Tacrines用于阿尔茨海默氏病治疗的合成,生物学评估和分子模型。

在本报告中,我们描述了由1,4-萘醌和他克林并置设计的新他克林类似物(例如QuinoPyranTacrines(QPTs))的合成,生物学评估和分子建模。根据这些结果,我们确定QPT16是一种可渗透的,选择性的人乙酰胆碱酯酶抑制剂[IC 50 = 1.1±0.15μM],在1000μM浓度下其肝毒性比他克林低3.5倍,因此,它是一种潜在的新型命中化合物,需要进一步研究旨在寻找一种新的AD治疗药物。
更新日期:2018-01-09
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