Table 1.
Binding free energies in kcal/mol of the top-scoring triterpenes against 7 viral and non-viral targets (3 viral-based and 4 human-based).
| Compound | ARP (6W02) | Mpro (6LU7) |
PLpro (6WXR) |
AAK1 (4WSQ) | GAK (4Y8D) | Cathepsin L(2YJC) | Furin (6EQX) |
|---|---|---|---|---|---|---|---|
| 1ß-Hydroxyaleuritolic acid 3-p-hydroxy-benzoate (11) | >−4 | −8.5 | −8 | −9.1 | >-4 | −8.1 | −8.7 |
| 20(21)-dehydrolucidenic acid (12) | >−4 | >−4 | >−4 | >−4 | −8.1 | >−4 | >−4 |
| Ganodermanondiol (13) | −8.3 | >−4 | >−4 | >−4 | >−4 | >−4 | >-4 |
| Ganoderiol F (14) | −8 | >−4 | >−4 | >−4 | >−4 | >−4 | −8.3 |
| Lucidumol A (15) | −9.6 | >−4 | >−4 | >−4 | >−4 | >−4 | |
| Suberosol (16) | >−4 | >−4 | >−4 | −9 | −8.2 | >−4 | >−4 |