Teaching Application of Molecular Docking and Visualisation Software in Food Quality and Safety Experiments:Mechanism of nAChRs Inhibition by Neonicotinoid Pesticides
LI Chang-Jian1**, SONG Jian1, ZHU Hui-Min2, LIU Kun-Feng3, JU Jian4
1. School of Public Health, Shandong Second Medical University, Weifang 261053, China; 2. School of Food Science and Technology, Jiangnan University, Wuxi 214122, China; 3. School of Food Science and Engineering, Xinyang Agriculture and Forestry University, Xinyang 464000,China; 4. Special Food Research Institute, Qingdao Agricultural University, Qingdao 266109, China
Abstract With the rapid development of food science and molecular computing, scientists have been pushed to understand the impact of food components and exogenous chemicals on food safety at the microscopic level. However, the traditional teaching mode is difficult to achieve visualisation at the molecular level. Therefore, taking the analysis of the mechanism of inhibition of acetylcholinesterase (nAChRs) by neonicotinoid pesticides chlorothiazide and piperidine as an example, this paper explores the application of molecular docking technology in teaching and degree design of food quality and safety using AutoDock and PyMOL software. It also explores the use of cutting-edge virtual reality (VR) technology in molecular docking. By using this software, students will be able to have a more intuitive understanding of the structure and function of proteins and will be able to perform molecular docking experiments that will help students to have a more perceptual understanding of the possible interactions between protein receptors and ligands. It stimulates students’ interest in learning and mobilises their enthusiasm for learning, thereby improving their practical skills and scientific literacy and achieving the objective of improving the quality of teaching.
LI Chang-Jian, SONG Jian, ZHU Hui-Min, LIU Kun-Feng, JU Jian. Teaching Application of Molecular Docking and Visualisation Software in Food Quality and Safety Experiments:Mechanism of nAChRs Inhibition by Neonicotinoid Pesticides[J]. Chinese Journal of Chemical Education, 2024, 45(18): 98-104.
