Table 2.
The binding energy of compound and core targets (kcal/mol)
Target | Target | Compound | Affinity |
---|---|---|---|
(PDB ID) | (kcal/mol) | ||
EGFR | 6LUD | Ferulic acid | − 5.8 |
Caffeic Acid | − 5.9 | ||
Paclitaxel | − 9.2 | ||
Carboplatin | − 4.8 | ||
Carboplatin Paclitaxel | − 9.2 | ||
TP53 | 4RG2 | Ferulic acid | − 7.2 |
Caffeic Acid | − 6.9 | ||
Paclitaxel | − 7.2 | ||
Carboplatin | − 5.6 | ||
Carboplatin Paclitaxel | − 7.9 | ||
CTNNB1 | 7AFW | Ferulic acid | − 5.2 |
Caffeic Acid | − 5.4 | ||
Paclitaxel | − 7.4 | ||
Carboplatin | − 4.9 | ||
Carboplatin Paclitaxel | − 7.4 | ||
CCND1 | 2W96 | Ferulic acid | − 6.4 |
Caffeic Acid | − 6.2 | ||
Paclitaxel | − 8.4 | ||
Carboplatin | − 5.1 | ||
Carboplatin Paclitaxel | − 8.6 | ||
HRAS | 4XRV | Ferulic acid | − 6.5 |
Caffeic Acid | − 6.7 | ||
Paclitaxel | − 8.4 | ||
Carboplatin | − 6.0 | ||
Carboplatin Paclitaxel | − 8.4 |