A Novel Class of Selective Acetylcholinesterase Inhibitors: Synthesis and Evaluation of (E)-2-(Benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles

作者：de la Torre Pedro; Astudillo Saavedra Luis; Caballero Julio; Quiroga Jairo; Alzate Morales Jans H; Gutierrez Cabrera Margarita; Trilleras Jorge

来源：Molecules, 2012, 17(10): 12072-12085.

DOI：10.3390/molecules171012072

• Knoevenagel condensation
• acrylonitriles
• AChE inhibitors
• docking
• ligand-protein interactions
• selectivity

(E)-2-(benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles are described as a new class of selective inhibitors of acetylcholinesterase (AChE). The most potent compound in the series exhibited good AChE inhibitory activity (IC50 = 64 mu M). Compound 7f was found to be more selective than galanthamine in inhibiting AChE and it showed a moderate selectivity index. Kinetic studies on AChE indicated that a competitive type of inhibition pattern exist for these acrylonitrile derivates. Molecular docking models of the ligand-AChE complexes suggest that compound 7g is located on the periphery of the AChE active site.

• 出版日期2012-10
• 单位上海生物信息技术研究中心