Innovative Experiment Project for Undergraduates Based on Discovery Studio Software: Molecular Docking Simulation Between Captopril and ACE
DENG Ping1,2, JIANG Jun-Hao1**
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.
DENG Ping, JIANG Jun-Hao. Innovative Experiment Project for Undergraduates Based on Discovery Studio Software: Molecular Docking Simulation Between Captopril and ACE[J]. Chinese Journal of Chemical Education, 2020, 41(2): 81-84.
