药物分子设计前沿技术融入药物化学实验教学——基于分子对接技术的抑制PERK的活性化合物筛选实验  

Integrating Leading-edge Technology in Drug Molecular Design into Experimental Teaching in Medicinal Chemistry——Screening Experiment of Active Compounds that Inhibit the Activation of PERK Based on Molecular Docking Technology

作　　者：车彦云 吴静宜 侯博 马超洁 Che Yanyun;Wu Jingyi;Hou Bo;Ma Chaojie(Yunnan University of Chinese Medicine,Kunming 650500,China)

机构地区：[1]云南中医药大学,云南昆明650500

出　　处：《广东化工》2024年第4期179-181,142,共4页Guangdong Chemical Industry

基　　金：云南中医药大学校级一流课程建设项目-药物化学。

摘　　要：药物化学是一门实践性较强的课程,药物分子设计的快速发展,对于药物化学的实践学习具有非常重要的指导作用。因此,我们设计了一个基于分子对接技术的抑制蛋白激酶R样内质网激酶(protein kinase R-like ER kinase, PERK)活性化合物的虚拟筛选实验。该实验可以帮助学生掌握分子对接技术的基本原理,熟悉分子对接技术筛选活性化合物的基本操作方法,并学会药物分子设计相关专业软件的使用及实验数据的分析。通过具体的实践练习,使学生了解药物设计前沿技术,提升学生从事药物研发的素养。The course of medicinal chemistry has the characteristic of strong practicality.The rapid development of drug molecular design plays a very important guiding role in practical learning of medicinal chemistry.Therefore,a virtual screening experiment based on molecular docking technology to identify compounds that inhibit the activation of PERK was designed in this paper.This experiment could help students grasp the basic principles of molecular docking technology,and familiarize the basic operating methods of screening active compounds with molecular docking technology.Then the experiments make the students have the ability to use relevant professional software for drug molecular design and analyze experimental data.Moreover,the students could understand the cutting-edge technology of drug design and enhance their literacy in drug research and development through the practice experiment.

关 键 词：分子对接 蛋白激酶样ER激酶 药物化学 实验教学 

分 类 号：R914.4[医药卫生—药物化学]