Table 3.
The results of bioactive compounds of the herbs with high binding affinity scores (≥9.0 kcal/mol).
| Herb | Bioactive compounds | PubChem ID | Structure |
|---|---|---|---|
| Atractylodes lancea (Thunb.) Dc. | Atractylenolide III | 155948 |
|
| Oroxindin | 3084961 |
|
|
| Citrus reticulata Blanco | Hesperidin | 10621 |
|
| Naringin | 442428 |
|
|
| Magnolia officinalis Rehd. et Wils. | Neohesperidin | 442439 |
|
| Agastache rugosa | Acanthoside B | 443024 |
|
| Acteoside | 5281800 |
|
|
| Campneoside | 5315651 |
|
|
| Hyperin | 5281643 |
|
|
| Orobanchoside | 6441894 |
|
|
| Amomum tsaoko Crevost et Lemarie | Hirsutrin | 5280804 |
|
| Hyperin | 5281643 |
|
|
| Quercetin 3-o-glucoside | 5280804 |
|
|
| Quercetin 3-o-rhamnopyranosyl | N/A |
|
|
| Quercetin 3-o-rutinoside (synonymous: rutin) |
5280805 |
|
|
| Ephedra sinica Stapf | Cosmetin | 5280704 |
|
| Hesperidin | 10621 |
|
|
| Luteolin 7-O-glucuronide | 5280601 |
|
|
| Rutin | 5280805 |
|
|
| Tilianine | 5321954 |
|
|
| Vitexin | 5280441 |
|
|
| Chrysoeriol 7-rutinoside | 14374725 |
|
|
| Coumarin-glycoside | N/A |
|
|
| 6′-feruloylnodakenin | 6439317 |
|