TABLE 5.
Analysis of the binding energy of 16 molecules with 4 target proteins.
| Active ingredient | Target protein | The lowest binding energy (kcal/mol) |
|---|---|---|
| Bavachin | BMP4 | −7.3 |
| Erythrinin A | BMP4 | −8 |
| 4,9‐Dimethoxy‐1‐vinyl‐beta‐carboline | BMP4 | −6 |
| 4,9‐Dimethoxy‐1‐vinyl‐beta‐carboline | KCNH2 | −5.2 |
| (E,E,E,E)‐Squalene | KCNH2 | −3.6 |
| 8‐Prenyl‐flavone | KCNH2 | −6 |
| Corylidin | KCNH2 | −6.6 |
| 12,13‐Epoxybakuchiol | KCNH2 | −4.8 |
| Atropine | KCNH2 | −5.3 |
| 24‐Methylenelophenol | KCNH2 | −5.7 |
| Squalene | KCNH2 | −3.6 |
| Eriodictyol | KCNH2 | −5.7 |
| (1R)‐5‐hydroxy‐1,6,6‐trimethyl‐2,7,8,9‐tetrahydro‐1H‐naphtho[1,2‐g][1]benzofuran‐10,11‐dione | KCNH2 | −6 |
| Danshenol A | KCNQ1 | −6.1 |
| Danshenol B | KCNQ1 | −6.2 |
| Arucadiol | KCNMA1 | −7.7 |
| Sugiol | KCNMA1 | −7.9 |