TABLE 3.
Docking results of five bioactive ingredients from RPD for IBS and UC targets.
| Ingredients structure | Binding energy (kcal/mol) | ||||||
|---|---|---|---|---|---|---|---|
| JUN | TP53 | MAPK1 | RELA | MYC | ESR1 | ||
| 1a02 | 1gzh | 6g54 | 2vge | 5i50 | 3os8 | ||
| Quercetin |
|
−8.2 | −7.2 | −8.5 | −6.8 | −8.5 | −8.3 |
| aloe-emodin |
|
−9.4 | −7.2 | −8.7 | −6.7 | −8.9 | −8.4 |
| Kaempferol |
|
−9.4 | −7.0 | −8.4 | −6.8 | −8.3 | −8.4 |
| beta-sitosterol |
|
−7.4 | −7.1 | −8.7 | −7.0 | −7.9 | −7.5 |
| (+)-catechin |
|
−7.1 | −7.3 | −7.5 | −6.8 | −9.6 | −7.1 |