Table 1 Docking scores along with standard error of the 10 ligands
Sl. No | Ligand | Blind docking | Standard error | Site-specific docking | Standard error |
|---|---|---|---|---|---|
1 | N-transferuroyl-4’-O-methyldopamine | − 9.1 | 0.066669 | − 8.7 | 0.110868 |
2 | Ellagic acid | − 9.6 | 0 | − 8.6 | 0 |
3 | Abyssinone II | − 9.6 | 0.0334 | − 8.6 | 0.028868 |
4 | Mollic acid glucoside | − 9.2 | 0.057735 | − 8.5 | 0.028868 |
5 | Glabridine | − 9 | 0.533349 | − 8.5 | 0.46188 |
6 | Chrysoeriol | − 8.6 | 0 | − 8.5 | 0 |
7 | Naringenin | − 8.5 | 0.03334 | − 8.4 | 0.028868 |
8 | Luteolin | − 8.4 | 0 | − 8.4 | 0 |
9 | Isoliquiritigenin | − 7.9 | 0.100003 | − 8.4 | 0.086603 |
10 | Baicalein | − 9 | 0.033334 | − 8.3 | 0.028868 |
11 | Piperine | − 9.2 | 0.11547 | − 9.2 | 0.06669 |
12 | Verapamil | − 8.5 | 0.128023 | − 5.6 | 0.425584 |