Innovative Comprehensive Experiment Design for Undergraduates Based on MOE Soft: Virtual Screening and Verification of FtsZ Inhibitors for Drug-Resistant Staphylococcus Aureus
SHEN Guang-Hui, LI Shan-Shan, ZHANG Zhi-Qing**
College of Food Science,Sichuan Agricultural University,Ya’an 625014,China
Abstract Based on MOE software, the virtual screening experiment of inhibitors derived from active substances of Zanthoxylum bungeanum against FtsZ of drug-resistant Staphylococcus aureus was designed as a teaching case in undergraduate comprehensive experimental course in food science major. Molecular docking simulation method was adopted to conduct the virtual screening of targeted inhibitors. Through the establishment of ligands molecule database, receptor preparation, docking parameter setting, evaluation of docking screening results and verification of antibacterial activity, students can comprehensively grasp the virtual screening of active molecules based on molecular docking and verification of inhibitors’ antibacterial activity in vitro, reduce the difficulty for students to understand the molecular antibacterial mechanism, broaden their understanding of new means of interdisciplinary cross research, and enhance students’ innovation practice ability.
SHEN Guang-Hui, LI Shan-Shan, ZHANG Zhi-Qing. Innovative Comprehensive Experiment Design for Undergraduates Based on MOE Soft: Virtual Screening and Verification of FtsZ Inhibitors for Drug-Resistant Staphylococcus Aureus[J]. Chinese Journal of Chemical Education, 2023, 44(10): 114-119.
