Figure_2
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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 |