Multistaged <i>In Silico</i> Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds

<div>(a) The generated 3D-pharmacophore geometry with three features; one H-bond donor (pink color) and two hydrophobic centers (blue). (b) Mapping of the cocrystallized ligand on the generated pharmacophore (Fit value = 2.86).</div>

Journal of Chemistry

fig13

Figure 13

Figure 13: Multistaged <i>In Silico</i> Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds 

Journal of Chemistry

Multistaged In Silico Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds

Figure 13