摘要
构建了乙酰胆碱酯酶抑制剂药效团模型,并基于此模型进行新型乙酰胆碱酯酶抑制剂的分子设计。用MVD软件进行分子对接,预测设计分子与乙酰胆碱酯酶的结合活性。通过计算发现,基于此药效团设计的小分子9与14乙酰胆碱酯酶具有较好的结合活性。
A series of acetylcholinesterase inhibitors（AChEI） were successfully designed based on the construction of a pharmacophore model of AChEI.Both these inhibitors and acetylcholinesterase（AChE） were docked by using MVD software to predict their binding abilities with AChE.Among these small molecules,9 and 14 have the strongest binding affinity with AChE.
出处
《安徽化工》
CAS
2011年第3期26-28,32,共4页
Anhui Chemical Industry
