Table 2 Spike protein binding free energies of top-scoring phytocompounds
Compound name | H bonds | Interacting residues | Binding free energy |
|---|---|---|---|
Rhoifolin | 5 | TYR453, SER494, TYR495, THR500 | − 58.43 |
Naringin | 5 | TYR453, SER494, TYR499, THR500 | − 44.48 |
Neoesperidin | 5 | TYR453, SER494, GLY494, GLY504 | − 60.95 |
Apigenin 6,8-di-C-glucoside | 5 | TYR449, TYR453, GLY496, GLY504 | − 37.87 |
Adenine | 2 | TYR495, GLY496 | − 24.18 |
Hesperidin | 2 | GLY496, TYR505 | − 59.47 |
6-Gingerol | 4 | TYR453, SER494, GLY496, TYR505 | − 38.60 |
Xanthin | 1 | TYR453 | − 18.26 |