Table 5 The binding energy of compound and core targets (kcal/mol)
From: Centipeda minima active components and mechanisms in lung cancer
Target | Target (PDB ID) | Target Structure | Compound | Affinity (kcal/mol) |
|---|---|---|---|---|
TP53 | 7BWN |
| quercetin nobiletin beta-sitosterol Erlotinib | -8.8 -7.4 -8.4 -7.3 |
AKT1 | 4EJN |
| quercetin nobiletin beta-sitosterol Erlotinib | -9.4 -6.7 -7.1 -6.5 |
MYC | 7T1Z |
| quercetin nobiletin beta-sitosterol Erlotinib | -9.0 -6.6 -7.2 -5.9 |
