Drug | Number of interactions | Interaction types | Binding affinity (kcal/mol) | Ranking (1 - 20, 1 = best, 20 = worst) |
Hydroxychloroquine | 4 | MET 165 (A) H-donor HIS 41 (A) H-pi HIS 41 (A) H-pi GLY 143 (A) pi-H | −6.3615 | 1 |
Dexamethasone | 4 | GLU (A) H-donor LYS 5 (A) H-acceptor LYS 137 (A) H-acceptor HOH 454 (A) H-acceptor | −5.1879 | 3 |
Naproxen | 4 | LYS 5 (A) H-acceptor LYS 137 (A) pi-cation LYS 137 (A) pi-cation HOH 454 (A) pi-H | −4.6286 | 4 |
Celecoxib | 2 | GLU 270 (A) H-donor GLU 270 (A) H-donor | −5.2343 | 12 |
Mefenamic acid | 2 | MET 49 (A) H-donor SER 46 (A) H-acceptor | −4.4983 | 17 |