关键词: AChE Amorpha fruticosa BuChE molecular docking putrescine spermidine

来  源:   DOI:10.3390/plants13091181   PDF(Pubmed)

Abstract:
Five putrescine and spermidine derivatives (1-5) together with five rotenoids (6-10) were isolated from a methanolic extract of the flowers of A. fruticosa that displayed promising inhibition of 76.0 ± 1.9% for AChE and 90.0 ± 4.0% for BuChE at a concentration of 1 mg/mL. Although the anticholinesterase activities of the isolated compounds did not reach that of galantamine, molecular docking revealed that all-trans-tri-p-coumaroylspermidine and trans-trans-cis-tri-p-coumaroylspermidine showed binding poses mimicking the known inhibitor galantamine and thus could serve as model molecules in future searches for new AChE and BuChE inhibitors.
摘要:
从菊花花的甲醇提取物中分离出5种腐胺和亚精胺衍生物(1-5)以及5种鱼藤素(6-10),这些提取物对AChE和90.0表现出有望抑制浓度为1mg/mL的BuChE为76.0±1.9%±4.0%。尽管分离的化合物的抗胆碱酯酶活性未达到加兰他敏的抗胆碱酯酶活性,分子对接显示,全反式-三-对-香马酰基亚精胺和反式-反式-顺式-三-香马酰基亚精胺显示出模拟已知抑制剂加兰他敏的结合姿势,因此可以在将来搜索新的AChE和BuChE抑制剂时用作模型分子。
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