分子对接与可视化软件在食品质量与安全专业实验中的教学应用——新烟碱农药抑制nAChRs机制  

Teaching Application of Molecular Docking and Visualisation Software in Food Quality and Safety Experiments: Mechanism of nAChRs Inhibition by Neonicotinoid Pesticides

作　　者：李长见 宋健 朱慧敏 刘坤峰[3] 鞠健 LI Chang-Jian;SONG Jian;ZHU Hui-Min;LIU Kun-Feng;JU Jian(School of Public Health,Shandong Second Medical University,Weifang 261053,China;School of Food Science and Technology,Jiangnan University,Wuxi 214122,China;School of Food Science and Engineering,Xinyang Agriculture and Forestry University,Xinyang 464000,China;Special Food Research Institute,Qingdao Agricultural University,Qingdao 266109,China)

机构地区：[1]山东第二医科大学公共卫生学院,山东潍坊261053 [2]江南大学食品学院,江苏无锡214122 [3]信阳农林学院食品科学与工程学院,河南信阳1464000 [4]青岛农业大学特种食品研究院,山东青岛266109

出　　处：《化学教育（中英文）》2024年第18期98-104,共7页Chinese Journal of Chemical Education

基　　金：山东第二医科大学科研创新计划项目(2022);山东第二医科大学教育教学改革与研究课题(2023YBE001)。

摘　　要：随着食品科学与分子计算领域的快速发展,推动了科学家从微观层面了解食品组分及外源性化学物质对食品安全的影响。然而传统的教学模式难以实现分子水平的可视化教学。因此,以新烟碱农药氯噻啉和哌嘧啶抑制烟碱型乙酰胆碱酯酶受体(nAChRs)的机制解析为例,借助AutoDock、PyMOL软件探讨了分子对接技术在食品质量与安全专业教学与毕业设计中的应用。并且进一步展望了前沿的虚拟现实技术(VR)在分子对接中的应用前景。通过使用这种教学方法,学生可以更直观地了解蛋白质的结构与功能,并且能够进行分子对接实验,帮助学生对蛋白质受体与配体之间可能存在的相互作用有更为感性的认识。激发学生的学习兴趣,调动其学习积极性,从而提高学生的实践能力和科学素养,达到提高教学质量的目的。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.

关 键 词：蛋白质 分子对接 食品教学 虚拟现实 科学素养 

分 类 号：G642.423[文化科学—高等教育学] TS201.6-4[文化科学—教育学]