Table 2 Information on molecular docking
| No | Proteins | PDB ID | Protein structure | Test compounds | Affinity (kcal/mol) |
|---|---|---|---|---|---|
| 1 | PTGS1 | 3N8W |
|
Arachidonic acid ( +)-catechin Beta-sitosterol Dinatin Hinokinin Isorhamnetin Moslosooflavone Pratensein Rivularin Salvigenin SkullcapflavoneII Xyloidone |
− 5.3 − 7.7 − 10.6 − 8.8 − 9.5 − 9.5 − 8.5 − 9.2 − 8.4 − 8.6 − 8.1 − 8.8 |
| 2 | PTGS2 | 5F19 |
|
Arachidonic acid SkullcapflavoneII Salvigenin Rivularin Pratensein Moslosooflavone Isorhamnetin Hinokinin Dinatin Beta-sitosterol ( +)-catechin Xyloidone |
− 5.7 − 9.4 − 9.2 − 9.5 − 9.4 − 9.5 − 9.3 − 9.8 − 9.6 − 9.4 − 9.2 − 9.1 |
| 3 | ALOX5 | 3O8Y |
| Arachidonic acid | − 5.1 |
| 4 | CASP3 | 3GJR3GJR |
|
Luteolin Arachidonic acid |
− 7.4 − 6.2 |
| 5 | F7 | 4EH8 |
|
SkullcapflavoneII Salvigenin Rivularin Isorhamnetin |
− 7.8 − 8.0 − 8.0 − 8.4 |
| 6 | F10 | 2GD4 |
|
SkullcapflavoneII Salvigenin Rivularin |
− 7.5 − 7.8 − 8.0 |
| 7 | LTA4H | 3B7S |
| Xyloidone | − 8.5 |