LeDock与PyMOL软件在天然产物化学课程教学中的应用——以中药防治新冠病毒肺炎(COVID-19)为例

Application of LeDock and PyMOL Software in the Teaching of Natural Product Chemistry: Taking the Active Ingredients of Traditional Chinese Medicine to Prevent and Treat New Coronavirus Pneumonia (COVID-19) as Example

以中药防治新冠病毒肺炎(COVID-19)为例,在天然产物化学课程教学中借助LeDock软件进行天然产物小分子与受体蛋白分子之间的半柔性对接,用PyMOL软件分析天然产物小分子与受体蛋白分子之间的相互作用,全方位充分展示天然产物分子结构和功能之间的关系。教学围绕我国当前形势展开,让学生在了解事实的同时激发其学习热情,培养学生的逻辑思维能力和动手能力,以此来提高教学质量。

Taking the active ingredients of traditional Chinese medicine to prevent and treat the new coronavirus pneumonia(COVID-19) as an example, in the teaching of natural product chemistry, LeDock software is used to conduct semi-flexible docking between natural product small molecules and receptor protein molecules, and PyMOL software is used to analyze natural product small molecules. The interaction between molecules and receptor protein molecules fully demonstrates the relationship between the molecular structure and function of natural products in all directions. Teaching is carried out around the current situation in our country, so that can stimulate students’ enthusiasm for learning while understanding the facts, and cultivate students’ logical thinking ability and practical ability, so as to improve the quality of students’ learning.