Table 3 Docking score of the active ingredients of RRP and key targets
Molecule name | PDB ID | Docking score (kcal/mol) | ||
|---|---|---|---|---|
Stigmasterol | Sitosterol | 5-HMF | ||
MAPK1 | 4s33 | − 9.7 | − 9.5 | − 4.3 |
MAPK3 | 6ges | − 5.3 | − 5.0 | − 4.2 |
AKT1 | 6hhf | − 10.3 | − 10 | − 4.7 |
MAPK8 | 3pze | − 8.2 | − 8.3 | − 4.4 |
ESR1 | 2iok | − 9.6 | − 8.7 | − 4.3 |
PTGS2 | 4cox | − 7.9 | − 8.1 | − 5.0 |
EGFR | 5y9t | − 6.3 | − 5.9 | − 3.8 |
FGF2 | 4fgf | − 5.0 | − 4.6 | − 3.2 |
SRC | 4u5j | − 9.1 | − 8.0 | − 4.3 |
MMP9 | 6esm | − 8.9 | − 8.6 | − 5.6 |