Application of Online Druggability Prediction Program in Teaching of Medicinal Chemistry
ZHANG Ya-An1**, LIU Yuan-Yuan1, CAO Nan1, PAN Ya-Dian1, SUN Bo-Wang2
1. Department of Pharmaceutical and Chemical Engineering,Southeast University Chengxian College,Nanjing 210088,China; 2. School of Chemistry and Chemical Engineering,Southeast University,Nanjing 210088,China
Abstract In the teaching of medicinal chemistry,the inherent connection between drug microstructure and macroscopic properties has always been a difficult point in learning the “chemical essence” of drugs.In this article,the application and specific examples of the online druggability prediction analysis tool ADMETlab 2.0 in teaching of medicinal chemistry are introduced.By adopting this method,students can deepen their understanding of the relationship between drug structure characteristics and physicochemical properties,drug metabolism characteristics and toxicity,which helps to establish thinking and understanding of the evaluation of drug development and form critical and exploratory learning.It can not only promote the construction of professional knowledge among students,but also enhance their digital literacy and abilities,resulting in good teaching effects.
ZHANG Ya-An, LIU Yuan-Yuan, CAO Nan, PAN Ya-Dian, SUN Bo-Wang. Application of Online Druggability Prediction Program in Teaching of Medicinal Chemistry[J]. Chinese Journal of Chemical Education, 2025, 46(2): 96-101.