| 於祥,陈娅芳,席银凯,张艳,杨武德.化学通报,2022,85(7):827-832. |
| 欧芹酚甲醚腙类衍生物的合成及抗乙酰胆碱酯酶活性研究（英文） |
| Design, Synthesis and Biological Evaluation of Osthole-based Hydrazone Derivatives as Acetylcholinesterase Inhibitors |
| 投稿时间：2021-11-04 修订日期：2021-12-04 |
| DOI： |
| 中文关键词: 欧芹酚甲醚 乙酰胆碱酯酶抑制剂 衍生物 合成 分子对接 |
| 英文关键词:Osthole, Acetylcholinesterase inhibitor, Derivatives, Synthesis, Molecular docking |
| 基金项目:贵州省自然科学基金项目（黔科合基础[2020]1Y070）和贵州中医药大学2018年度学术新苗培养及创新探索专项（黔科合平台人才[2017]5735号－22）资助 |
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| 中文摘要: |
| 本论文以香豆素类化合物欧芹酚甲醚为先导化合物，设计合成了15个欧芹酚甲醚腙类衍生物，所有目标化合物经熔点、1H NMR和MS进行结构确证。体外抑制乙酰胆碱酯酶活性结果表明，在100 μmol/L浓度下，目标化合物3d对乙酰胆碱酯酶具有较强的抑制活性，其抑制率分别达到66.1%。初步构效关系表明，在欧芹酚甲醚腙类化合物的苯环上引入斥电子基能提高对乙酰胆碱酯酶的抑制活性。分子对接标明化合物3d可以和乙酰胆碱酯酶的催化活性中心部位显著结合。 |
| 英文摘要: |
| Fifteen novel osthole-based hydrazone derivatives were synthesized and their structures were confirmed by melting point, 1H NMR and MS. Preliminary bioassay of these derivatives" activities inhibiting acetylcholinesterase (AChE) was also evaluated in vitro at the concentration of 100 μmol/L. The result showed that compound 3d had moderate inhibitory activity with 66.1%. The preliminary structure-activity relationships revealed that introduction of an electron-donating group on the phenyl of osthole-based hydrazone derivatives could enhance their activities. Molecular docking study suggested that compound 3d possessed an optimal docking pose with interactions inside AChE. |
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