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| 基于Discovery Studio软件的本科生创新实验项目设计*——卡托普利与血管紧张素转化酶的分子对接 | |
| 引用本文： | 邓萍,蒋君好. 基于Discovery Studio软件的本科生创新实验项目设计*——卡托普利与血管紧张素转化酶的分子对接[J]. 化学教育, 2020, 41(2): 81-84. DOI: 10.13884/j.1003-3807hxjy.2019010062 |
| 作者姓名： | 邓萍 蒋君好 |
| 作者单位： | 1.重庆医科大学药学院 重庆 400016; 2.重庆医科大学药学实验教学中心 重庆 401331 |
| 基金项目： | 教育教学改革研究项目;宿州学院校级教学研究项目 |
| 摘 要： | 基于Discovery Studio软件高质量的分子三维结构可视化功能和分子对接模拟模块,设计了卡托普利与血管紧张素转化酶的分子对接实验,让学生通过分子对接模拟过程,掌握药物分子结构特征,理解构效关系特征,认识酶抑制剂和靶蛋白的作用机制,了解药物研究新手段。 |
| 关 键 词： | 卡托普利 血管紧张素转化酶 分子对接 实验教学 Discovery Studio |
Innovative Experiment Project for Undergraduates Based on Discovery Studio Software:Molecular Docking Simulation Between Captopril and ACE |
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| DENG Ping,JIANG Jun-Hao. Innovative Experiment Project for Undergraduates Based on Discovery Studio Software:Molecular Docking Simulation Between Captopril and ACE[J]. Journal of Chemical Education, 2020, 41(2): 81-84. DOI: 10.13884/j.1003-3807hxjy.2019010062 | |
| Authors: | DENG Ping JIANG Jun-Hao |
| Affiliation: | 1.College of Pharmacy, Chongqing Medical University, Chongqing 400016, China; 2. Pharmacy Experimental Teaching Center, Chongqing Medical University, Chongqing 401331, China |
| Abstract: | Based on the Discovery Studio(DS)software,which has high-quality visualization of molecular three-dimensional structure and reliable simulation results of molecular docking,the molecular docking experiment between captopril and angiotensin converting enzyme(ACE)was designed for undergraduate teaching.By the simulation experiment,undergraduates can understand characteristics of drug structures,structure-activity relationships,binding modes between enzyme inhibitors and target proteins,and new means of drug research. |
| Keywords: | captopril angiotensin converting enzyme molecular docking simulation experimental teaching Discovery Studio |
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