| 引用本文: | 范於菟,卢慧甍,梅其炳,刘莉,武祥龙,罗华军,刘祈星,陈永盛.3,4-亚甲二氧苯基甲酰吗啉与AMPA受体的结合作用研究[J].中国现代应用药学,2019,36(10):1183-1186. |
| FAN Wutu,LU Huimeng,MEI Qibing,LIU Li,WU Xianglong,LUO Huajun,LIU Qixing,CHEN Yongsheng.Study of 3,4-Methylenedioxyphenyl Formylmorpholine Binding to AMPA Receptor[J].Chin J Mod Appl Pharm(中国现代应用药学),2019,36(10):1183-1186. |
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| 3,4-亚甲二氧苯基甲酰吗啉与AMPA受体的结合作用研究 |
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范於菟1, 卢慧甍2, 梅其炳2,3, 刘莉3, 武祥龙2, 罗华军1, 刘祈星1, 陈永盛1
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1.三峡大学生物与制药学院, 湖北 宜昌 443002;2.西北工业大学生命学院, 西安 710072;3.中国医药工业研究总院药理评价研究中心, 上海 200040
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| 摘要: |
| 目的 研究3，4-亚甲二氧苯基甲酰吗啉（化合物1）与AMPA受体的结合作用。方法 采用放射性配体受体结合试验测定化合物1与AMPA受体结合的IC50值；采用分子对接技术研究化合物1与AMPA受体的结合能力和结合模式。结果 化合物1与AMPA受体结合的IC50值为1.74×10-9 mol·L-1，具有较强的结合能力；化合物1与AMPA受体的结合能为-5.46 kcal·mol-1，同样表明结合能力较强。结合的驱动力主要是氢键、疏水作用和静电作用。化合物1结构中O原子可与AMPA受体的Ser108、Ser242氨基酸残基形成氢键，这可能是该化合物与AMPA受体结合的重要位点。结论 化合物1可与AMPA结合，且结合能力较强。 |
| 关键词: AMPA受体 放射性配体受体结合试验 分子对接 |
| DOI：10.13748/j.cnki.issn1007-7693.2019.10.003 |
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| 基金项目:国家自然科学基金项目（21202130）；湖北省科技计划项目（2018CFB241）；三峡大学人才科研启动基金资助项目（KJ2014B083） |
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| Study of 3,4-Methylenedioxyphenyl Formylmorpholine Binding to AMPA Receptor |
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FAN Wutu1, LU Huimeng2, MEI Qibing2,3, LIU Li3, WU Xianglong2, LUO Huajun1, LIU Qixing1, CHEN Yongsheng1
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1.College of Biology and Pharmacy, China Three Gorges University, Yichang 443002, China;2.School of Life Sciences, Northwestern Polytechnical University, Xi'an 710072, China;3.Center for Pharmacological Evaluation and Research, China State Institute of Pharmaceutical Industry, Shanghai 200040, China
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| Abstract: |
| OBJECTIVE To investigate the binding of 3,4-methylenedioxyphenyl formylmorpholine(compound 1) to AMPA receptor. METHODS The potency of compound 1 binding to AMPA receptor was evaluated by radioligand binding assay. Meanwhile, the binding mode of compound 1 to AMPA receptor was evaluated by molecular docking.RESULTS Compound 1 showed high affinity of AMPA receptor with the IC50 value of 1.74×10-9 mol·L-1. Meanwhile, the results from molecular docking indicated that compound 1 could bind to AMPA receptor by high affinity with the ΔE value of -5.46 kcal·mol-1. Hydrogen bond, hydrophobic force and electrostatic interaction played key roles in binding. Moreover, the O atoms of compound 1 could form hydrogen bond with Ser108 and Ser242 of AMPA receptor, which was recommended as the key binding site. CONCLUSION The results demonstrate that compound 1 could bind to AMPA receptor with high affinity,. |
| Key words: AMPA receptor radioligand binding assay molecular docking |
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