Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
Liying Wang, Zhongtian Yu, Shiwei Wang, Zheng Guo, Qi Sun, Luhua Lai
Topics & Concepts
Covalent bondChemistryCysteineDrug discoveryProteaseEnzyme inhibitorIC50Protease inhibitor (pharmacology)EnzymeBiochemistryCombinatorial chemistryVirusBiologyVirologyViral loadIn vitroOrganic chemistryAntiretroviral therapyComputational Drug Discovery Methodsvaccines and immunoinformatics approachesClick Chemistry and Applications