Table 5.
Binding energy (kcal/mol) of Lonicerae japonicae flos molecular docking.
| No. | Component | Target | |||
|---|---|---|---|---|---|
| AKT1 | PIK3CA | PIK3R1 | MAPK1 | ||
| C1 | 3-O-Methylquercetin | -4.27 | -4.73 | -4.17 | -4.39 |
| C15 | Secologanic acid | -5.98 | -4.69 | -5.52 | -5.24 |
| C11 | Adinoside F | -5.4 | -3.73 | -5.9 | -6.01 |
| C2 | Apigenin | -5.48 | -4.2 | -5.88 | -5.2 |
| C6 | Luteolin | -5.37 | -3.98 | -4.79 | -5.78 |
| C4 | Kaempferol | -4.55 | -4.23 | -5.8 | -5.16 |
| C8 | Quercetin | -5.54 | -4.69 | -4.66 | -4.26 |
| C22 | Caffeic acid | -6.11 | -3.91 | -4.52 | -4.25 |
| C19 | Alpha-terpineol | -5 | -4.69 | -4.2 | -4.85 |
| C29 | Vanillic acid | -6.52 | -4.04 | -3.89 | -4.07 |
| C28 | Protocatechuic acid | -6.39 | -3.91 | -3.93 | -4.15 |
| C24 | Ferulic acid | -5.19 | -3.39 | -4.08 | -4.8 |
| C10 | 7-epi-Vogeloside | -4.54 | -3.21 | -3.42 | -3.84 |
| C7 | Luteolin-7-o-glucoside | -3.86 | -3.58 | -3.74 | -3.82 |
| C21 | Linalool | -4.44 | -3.43 | -3.31 | -3.64 |
| C23 | Chlorogenic acid | -5.17 | -2.82 | -3 | -3.68 |
| C20 | Geraniol | -4.12 | -3.12 | -3.67 | -3.71 |
| C27 | Neochlorogenic acid | -4.94 | -2.06 | -2.78 | -4.34 |
| C13 | Loganic acid | -4.59 | -2.6 | -3.48 | -3.15 |
| C17 | Sweroside | -3.93 | -2.72 | -3.54 | -3.41 |
| C18 | Vogeloside | -4.5 | -3.05 | -2.82 | -3.22 |
| C16 | Secoxyloganin | -3.75 | -1.42 | -1.95 | -3.7 |
| C25 | Isochlorogenic acid A | -3.72 | -1.92 | -3.51 | -1.28 |
| C14 | Loganin | -4.12 | -1.27 | -1.97 | -2.32 |
| C5 | Lonicerin | -1.93 | -0.45 | -3.76 | -2.42 |
| C12 | Adinoside G | -3.69 | -0.76 | -1.39 | -2.45 |
| C26 | Isochlorogenic acid C | -2.91 | -2.34 | -1.13 | -1.51 |
| C3 | Hyperoside | -2.19 | -0.75 | -2.39 | -2.24 |
| C9 | Rutin | -1.24 | -0.42 | -1.82 | -1.19 |