基于Autodock软件的槲皮素与诱导性一氧化氮合酶分子对接实验教学  

Teaching of the Docking Experiments Between Quercetin and Inducible Nitric Oxide Synthase Based on Autodock Software

作　　者：吴俊勇[1,2] 闫华 金燕仙[1] 余彬彬[1] 陈浩 钟爱国[1] WU Jun-Yong;YAN Hua;JIN Yan-Xian;YU Bin-Bin;CHEN Hao;ZHONG Ai-Guo(School of Pharmaceutical and Chemical Engineering,Taizhou University,Taizhou 318000,China;School of Chemistry,Beijing University of Chemical Technology,Beijing 100029,China)

机构地区：[1]台州学院医药化工学院,浙江台州318000 [2]北京化工大学化学学院,北京100029

出　　处：《化学教育（中英文）》2024年第22期104-109,共6页Chinese Journal of Chemical Education

基　　金：教育部产学合作协同育人项目(201902072022);浙江省一流课程(浙教办函[2021]195号);台州学院专升本物理化学及实验课程教学改革项目(82023169)。

摘　　要：主要详细介绍了Autodock软件在分子对接教学中的使用流程,设计了槲皮素与诱导性一氧化氮合酶的分子对接实验,并对对接结果进行分析与研究。学生通过分子对接技术,能够从三维结构可视化掌握药物小分子与蛋白大分子作用的机理,为以后与药物设计相关的大学生创新项目提供理论基础。The paper mainly introduces the usage process of Autodock software in molecular docking teaching,designs the molecular docking experiment between quercetin and inducible nitric oxide synthase,and analyzes the docking results.Through molecular docking technology,students can grasp the mechanism of the interactions between small drug molecules and large protein molecules through three-dimensional structural visualization,and providing a theoretical basis for the college students innovation projects related to drug design in future.

关 键 词：Autodock软件 槲皮素 分子对接 药物设计 

分 类 号：G642.423[文化科学—高等教育学] TQ460.1-4[文化科学—教育学]