摘要
研究设计并合成了3个结构新颖的均三嗪衍生物,并研究这些化合物的乙酰胆碱酯酶抑制活性。利用红外、核磁共振鉴定了合成的三嗪-哌啶衍生物的结构,采用Ellman比色法评价了三嗪-哌啶衍生物的胆碱酯酶抑制活性。结果显示,化合物N2,N2-diallyl-N4-(1-benzylpiperidin-4-yl)-6-chloro-1,3,5-triazine-2,4-diamine(3c)显示出良好的乙酰胆碱酯酶抑制活性(IC50值为33.22μM);分子对接显示,化合物3c能与乙酰胆碱酯酶的CAS位点和PAS位点结合;ADME预测显示,化合物3c都能够透过血脑屏障。该类化合物对乙酰胆碱酯酶的抑制作用具有进一步研究的意义。
Three structurally novel homotriazine derivatives were designed and synthesized and the acetylcholinesterase inhibitory activity of these compounds was investigated.The structures of the synthesized triazine-piperidine derivatives were characterized using infrared and nuclear magnetic resonance.The cholinesterase inhibitory activity of the triazine-piperidine derivatives was evaluated using Ellman’s colorimetric method.The compound N2,N2-diallyl-N4-(1-benzylpiperidin-4-yl)-6-chloro-1,3,5-triazine-2,4-diamine(3c)showed good acetylcholinesterase inhibitory activity(IC50 value of 33.22μM).Molecular docking showed that compound 3c binds to the CAS site and PAS site of acetylcholinesterase.ADME prediction showed that the compounds were all able to cross the blood-brain barrier.The inhibitory activities of compound 3c on acetylcholinesterase are worth studying further.
作者
孟玲
王婧
于均超
仇浩
史大华
MENG Ling;WANG Jing;YU Junchao;QIU Hao;SHI Dahua(College of Pharmaceutical Engineering,Lianyungang Technical College,Lianyungang 222000,China;Jiangsu Engineering Technology Development Center for Drug Delivery Carrier Materials,Lianyungang 222000,China;School of Pharmacy,Jiangsu Ocean University,Lianyungang 222005,China)
出处
《连云港职业技术学院学报》
2025年第1期1-5,共5页
Journal of Lianyungang Technical College
基金
江苏省高等学校基础科学(自然科学)研究面上项目(22KJD350002)
江苏省高校“青蓝工程”优秀青年骨干教师项目(苏教师函〔2024〕14号)
江苏省可见光催化材料工程研究中心开放课题(JECVCM202202)。
关键词
均三嗪衍生物
乙酰胆碱酯酶
抑制剂
s-triazine derivatives
acetylcholinesterase
inhibitor
