Table 2 Molecular docking of ligustilide to proteins.
Protein | PDB ID | Affinity (kcal/mol) |
|---|---|---|
AKT1 | 7nh5 | − 7.8 |
MAPK14 | 6sfo | − 7.3 |
ESR1 | 7msa | − 6.9 |
CASP3 | 7seo | − 6.8 |
AR | 2piw | − 6.7 |
CREBBP | 4tqn | − 6.7 |
MAPK3 | 6ges | − 6.6 |
TP53 | 4agn | − 6.2 |
TLR4 | 3fxi | − 6 |
IL6 | 1alu | − 5.7 |
CCND1 | 5vzu | − 5.6 |
HIF1A | 1h2l | − 5.6 |
IL2 | 4nej | − 5.6 |
IL1B | 6y8m | − 5.5 |
MYC | 6g6l | − 5.5 |
STAT3 | 6nuq | − 5.3 |
EGF | 1jl9 | − 5.1 |
SRC | 1a08 | − 4.8 |
