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- Title
PyMOL 在药物化学三维结合模式 教学中的应用.
- Authors
张茂风; 张立光; 刘竺云
- Abstract
The 3D binding mode of ligands and targets is an important part of the Medicinal Chemistry course. However, the relevant teaching contents are abstract and lack teaching examples, which lead to difficulties for students to understand the knowledge. PyMOL is a software to display the 3D structure of molecules. The introduction of PyMOL into Medicinal Chemistry course will make the teaching more vivid. In this paper, three teaching cases are designed based on the PyMOL tool, which are the binding modes of the antibacterial agent levofloxacin with topoisomerase IV, the antihypertensive agent captopril with angiotensin I-converting enzyme, and the anti-novel coronavirus COVID-19 agent nirmatrelvir with 3CL protease, respectively. Besides, 3D image drawing protocols are provided for the above cases. By guiding students to draw 3D structures using PyMOL, it greatly enhances their spatial imagination, deepens their understanding of knowledge and cultivates their innovative thinking.
- Publication
China Medical Education Technology, 2023, Vol 37, Issue 4, p468
- ISSN
1004-5287
- Publication type
Article
- DOI
10.13566/j.cnki.cmet.cn61-1317/g4.202304017