Table 2 Chemical details and structures retrieved from the PubChem database.
Compound name | Compound structure | Molecular formula | Molecular weight (g/mol) | Libdock score | Binding energy (kcal/mol) |
|---|---|---|---|---|---|
ACE |
| C29H36O15 | 624.60 | 143.09 |  − 234.56 |
CAG |
| C26H28O13 | 548.50 | 104.44 |  − 217.67 |
HYP |
| C21H20O12 | 464.38 | 92.86 |  − 220.32 |
ISO |
| C21H20O12 | 464.38 | 92.86 |  − 220.32 |
ORO |
| C22H20O11 | 460.39 | 92.49 |  − 204.58 |
CGA |
| C26H28O13 | 548.50 | 88.81 |  − 214.03 |
