新型吖啶-香豆素杂合体的合成、体外乙酰胆碱酯酶抑制活性及分子对接。
Synthesis, in vitro acetylcholinesterase inhibitory activity and molecular docking of new acridine-coumarin hybrids.
机构信息
Department of Organic Chemistry, Institute of Chemical Sciences, Faculty of Science, P. J. Safarik University, Moyzesova 11, SK-041 67 Kosice, Slovak Republic.
Department of Organic Chemistry, Institute of Chemical Sciences, Faculty of Science, P. J. Safarik University, Moyzesova 11, SK-041 67 Kosice, Slovak Republic.
出版信息
Int J Biol Macromol. 2017 Nov;104(Pt A):333-338. doi: 10.1016/j.ijbiomac.2017.06.006. Epub 2017 Jun 7.
A novel series of acridine-coumarin hybrids was synthesized and biologically evaluated for their potential inhibitory effect on both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). The newly synthesized derivatives 9a-d have shown higher activity against human AChE (hAChE) compared with 7-MEOTA as the standard drug. Among them derivative 9b exhibited the most potent acetylcholinesterase inhibitory activity, with an IC value of 5.85μM compared with 7-MEOTA (IC=15μM). Molecular modelling studies were performed to predict the binding modes of compounds 9b, 9c and 9f with hAChE/hBuChE.
合成了一系列新型吖啶-香豆素杂合体，并对其抑制乙酰胆碱酯酶（AChE）和丁酰胆碱酯酶（BuChE）的潜在作用进行了生物评价。与标准药物 7-MEOTA 相比，新合成的衍生物 9a-d 对人乙酰胆碱酯酶（hAChE）表现出更高的活性。其中衍生物 9b 表现出最强的乙酰胆碱酯酶抑制活性，IC 值为 5.85μM，而 7-MEOTA 的 IC 值为 15μM。进行了分子建模研究，以预测化合物 9b、9c 和 9f 与 hAChE/hBuChE 的结合模式。
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