Fig. 3. Percent activity on SARS-CoV-2 3CLpro at 50 μM concentration of quinazolinone compounds (A). Dose–response curve analysis of 9b for inhibitory activity against SARS-CoV-2 3CLpro (B). Three-dimensional protein–ligand interactions and optimal docking pose between 9b and the SARS-CoV-2 3CL protease active site. (C) HOMO, LUMO, and charge density difference (D). The bioavailability radar criteria based on lipophilicity (LIPO), molecular weight (SIZE), polarity (POLAR), solubility (INSOLU), saturation (INSATU), and flexibility (FLEX) using SwissADME tools (E).
