黄皮酰胺生物电子等排体AchE抑制剂的设计合成及分子对接研究  

Study on Design,Synthesis and Molecular Docking of Clausenmaide Bioelectron Isoarrayas AchE Inhibitors

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作  者:唐敏 徐芳辉 杨吟宇 晏莉莎 邓凤君 TANG Min;XU Fanghui;YANG Yinyu;YAN Lisha;DENG Fengjun(Yiyang Medical College,Hunan Yiyang 413000)

机构地区:[1]益阳医学高等专科学校,湖南益阳413000

出  处:《生物化工》2021年第3期14-17,共4页Biological Chemical Engineering

基  金:湖南省卫计委科研课题(B2015-174)。

摘  要:目的:黄皮酰胺具有抗阿尔兹海默症的药理活性,其作用机制可能与抗胆碱酯酶活性有关,对其结构进行改造有望获得药理活性更佳的药物。方法:基于生物电子等排原理,设计利用氨基替代羟基合成黄皮酰胺类似物,利用刘卡特反应合成该目标化合物,并通过分子对接预测该化合物的抗乙酰胆碱酯酶活性。结果:通过刘卡特反应合成目标产物,分子对接结果显示氨基取代的黄皮酰胺类似物总得分高于黄皮酰胺。结论:黄皮酰胺类似物(±)-3-羟基-4-苯基-5-(氨基)苄基-N-甲基-2-吡咯烷酮有望被开发成新的乙酰胆碱酯酶抑制剂。Objective:Clausenmaide has the pharmacological activity against Alzheimer's disease,and its mechanism may be related to the activity of anticholinesterase,so it is possible to obtain stronger drugs by modifying its structure.Methods:Based on the principle of bioisosterism,the anthocyanin analogue was synthesized by substitution of amino group with hydroxyl group and the target compound was synthesized by the Leuckart-Wallach Reaction.The anticholinesterase activity was predicted by molecular docking.Results:Target compound could be synthesized by the Leuckart-Wallach Reaction,and the molecular docking results showed that its total score was higher than that of the Clausenmaide.Conclusion:(±)-3-hydroxy-4-phenyl-5-(amino)benzyl-N-methyl-2-pyrrolidone has the potential to be developed as a new acetylcholinesterase inhibitors.

关 键 词:黄皮酰胺 生物电子等排 刘卡特反应 乙酰胆碱酯酶 

分 类 号:TQ460.6[化学工程—制药化工]

 

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