Teaching of the Docking Experiments Between Quercetin and Inducible Nitric Oxide Synthase Based on Autodock Software
WU Jun-Yong1,2**, YAN Hua1, JIN Yan-Xian1**, YU Bin-Bin1, CHEN Hao1, ZHONG Ai-Guo1
1. School of Pharmaceutical and Chemical Engineering, Taizhou University, Taizhou 318000, China; 2. School of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China
Abstract 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.
WU Jun-Yong, YAN Hua, JIN Yan-Xian, YU Bin-Bin, CHEN Hao, ZHONG Ai-Guo. Teaching of the Docking Experiments Between Quercetin and Inducible Nitric Oxide Synthase Based on Autodock Software[J]. Chinese Journal of Chemical Education, 2024, 45(22): 104-109.
