Table 3. Compounds and their binding affinity with IL-6 were presented.
| Compound | Chemical formula | Molecular weight | Binding affinity (kJ/mol) |
|---|---|---|---|
| Rutin | C27H30O16 | 610.517 | -5.9 |
| Matrine | C15H24N2O | 248.364 | -7.0 |
| Melanin | C18H10N2O4 | 318.283 | -7.1 |
| Luteolin | C15H10O6 | 286.236 | -8.1 |
| Caffeine | C8H10N4O2 | 194.191 | -5.5 |
| Aucubin | C15H22O9 | 346.33 | -5.7 |
| Piperine | C17H19NO3 | 285.338 | -5.7 |
| Wogonin | C16H12O6 | 300.263 | -7.3 |
| Daidzein | C15H10O4 | 254.237 | -5.7 |
| Myricetin | C15H10O8 | 318.235 | -8.2 |
| Quercetin | C15H10O7 | 302.236 | -8.2 |
| Ursolic acid | C30H48O3 | 456.7 | -6.4 |
| Resveratrol | C14H12O3 | 228.243 | -6.5 |
| Paeoniflorin | C23H28O11 | 480.462 | -6.1 |
| Sinomenine | C19H23NO4 | 329.39 | -6.7 |
| Atractylenolide I | C15H18O2 | 230.302 | -6.4 |
| γ-Aminobutyric acid | C4H9NO2 | 103.12 | -3.1 |
All compounds except γ-aminobutyric acid molecular binding affinity with IL-6 were less than −5.0 kJ/mol, indicating that several bioactive chemical compounds in TCM have the potential to interact directly with IL-6.