Figure_1
a- Main Protease (MPro) of SARS-CoV-2 with active residues in green. b- Spike Protein of SARS-CoV-2 with active residues in green.
Figure_2
a- Docked eritadenine in the pocket of Mpro of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. a1- Eritadenine interaction with Mpro in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. b- Docked eritadenine in the pocket of Spike Protein of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. b1- Eritadenine interaction with Spike Protein in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. c- Docked Gallic Acid in the pocket of Mpro of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. c1- Gallic Acid interaction with Mpro in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. d- Docked Gallic Acid in the pocket of Spike Protein of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. d1- Gallic Acid interaction with Spike Protein in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. e- Docked Ergosterol Peroxide in the pocket of Spike Protein of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. e1- Ergosterol Peroxide interaction with Mpro in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. f- Docked Ergosterol Peroxide in the pocket of Spike Protein of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. f1- Ergosterol Peroxide interaction with Spike Protein of SARS-CoV-2 in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. g- Docked Pleuran in the pocket of Mpro of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice. g1- Pleuran interaction with Mpro in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow. h- Docked Pleuran in the pocket of Spike Protein of SARS-CoV-2 where the pocket is in greyish white and the ligand in Licorice h1- Pleuran interaction with Spike Protein of SARS-CoV-2 in 2D structure is given in crimson, bond formation in green and amino acids to which they were formed in black and other amino acidic interaction in yellow.
Figure_3
a- Root Mean Square Deviation (RMSD) of Ligands bound to Main Protease of SARS-CoV-2 (PDB ID: 6LU7). b- Root Mean Square Fluctuation (RMSF) of Ligands bound to Main Protease of SARS-CoV-2 (PDB ID: 6LU7).
Figure_4
a- Root Mean Square Deviation (RMSD) of Ligands bound to Spike Protein of SARS-CoV-2 (PDB ID: 6YOR). b- Root Mean Square Fluctuation (RMSF) of Ligands bound to Spike Protein of SARS-CoV-2 (PDB ID: 6YOR).
Figure_5 Top 15 Targets for Eritadenine
Figure_6 All Targets for Gallic Acid
Figure_7 Top 15 Targets for Ergosterol Peroxide
Figure_8 All Targets for Pleuran