Figure 5. Virtual screening results for the N3 pharmacophore.
( A) COVID-19 main protease is represented in cyan (protomer A) and dark salmon (protomer B). The best complexes are formed by the alkaloid ZINC2101723 in pink ( B) and two polyflavonoids ZINC2094526 in marine blue ( C) and ZINC2094304 in lemon green ( D), and their 2D interaction maps with pocket amino acids are shown below each complex.