Table 2.
Estimated binding affinity of the drugs screened against the major conformers of C5a. Drugs demonstrating ∼ Ki ≤ 10 μM are highlighted in bold.
| Drug | ∼ Ki (μM) / B. E. (kcal/mol) toward C5a |
||
|---|---|---|---|
| Conformer 1 | Conformer 2 | Conformer 3 | |
| Prednisone | 2.70 / -7.60 | 0.858 / -8.28 | 6.83 / -7.05 |
| Dexamethasone | 46.59 / -5.91 | 5.92 / -7.13 | 18.98 / -6.44 |
| Azithromycin | 380.53 / -4.67 | 1410 / -3.89 | 207.83 / -5.02 |
| Colchicine | 88.99 / -5.53 | 3.69 / -7.41 | 89.07 / -5.53 |
| Fluvoxamine | 558.98 / -4.44 | 735.51 / -4.27 | 117.01 / -5.36 |
| Famotidine | 26.16 / -6.25 | 146.26 / -5.23 | 118.11 / -5.36 |