Table 1.
Protein–protein interaction depicting 5 lowest binding energy for S Protein–ACE2 complex in the presence or absence of curcumin and catechin.
Macromolecule | Binding positions | Lowest energy (kJ/mol) | Average lowest energy (kJ/mol) |
---|---|---|---|
S Protein–ACE2 | 1 | − 928.9 | − 901.2 |
S Protein–ACE2 | 2 | − 923 | |
S Protein–ACE2 | 3 | − 902.4 | |
S Protein–ACE2 | 4 | − 853.3 | |
S Protein–ACE2 | 5 | − 898.4 | |
S Protein with curcumin–ACE2 | 1 | − 799.2 | − 759.54 |
S Protein with curcumin–ACE2 | 2 | − 744 | |
S Protein with curcumin–ACE2 | 3 | − 759 | |
S Protein with curcumin–ACE2 | 4 | − 755 | |
S Protein with curcumin–ACE2 | 5 | − 740.5 | |
S Protein with catechin–ACE2 | 1 | − 799.2 | − 759.54 |
S Protein with catechin–ACE2 | 2 | − 744 | |
S Protein with catechin–ACE2 | 3 | − 759 | |
S Protein with catechin–ACE2 | 4 | − 755 | |
S Protein with catechin–ACE2 | 5 | − 740.5 |