Drug | Number of interactions | Interaction types | Binding affinity (kcal/mol) | Rank (1 = best 15 = worst) |
Hydroxychloroquine | 4 | ASN 165 (A) H-acceptor LYS 129 (A) H-acceptor GLU 132 (A) pi-H GLU 132 (A) pi-H | −4.6855 | 1 |
Dexamethasone | 2 | SER 297 (A) H-donor LYS 300 (A) H-acceptor | −4.4664 | 8 |
Naproxen | 0 | - | 0 | 15 |
Celecoxib | 3 | LYS 964 (A) H-acceptor SER 50 (A) H-acceptor VAL 47 (A) pi-H | −5.4664 | 3 |
Mefenamic acid | 0 | - | 0 | 15 |
Etoricoxib | 2 | GLN 321 (A) H-acceptor LYS 537 (A) pi-H | −4.8107 | 2 |
Aspirin | 0 | - | 0 | 15 |
Diclofenac | 0 | - | 0 | 15 |
Meloxicam | 3 | ASN 343 (A) H-donor ASN 343 (A) H-donor TRP 436 (A) pi-pi | −5.0303 | 5 |
Ibuprofen | 0 | - | 0 | 15 |
Ketoprofen | 0 | - | 0 | 15 |
Parecoxib | 3 | LYS 964 (A) H-acceptor VAL 47 (A) pi-H LYS 964 (A) pi-H | −5.3639 | 4 |
Etodolac | 2 | THR 912 (A) H-donor THR 912 (A) pi-H | −4.8000 | 7 |
Piroxicam | 2 | PHE 374 (A) H-donor ALA 372 (A) pi-H | −4.3556 | 9 |
Prednisolone | 3 | ASP 364 (A) H-donor THR 385 (A) H-donor ASN 370 (A) H-acceptor | −3.7528 | 10 |
Hydrocortisone | 1 | ARG 34 (A) H-acceptor | −4.6782 | 12 |
Budesonide | 2 | ASN 856 (A) H-acceptor ASN 856 (A) H-acceptor | −5.5163 | 6 |
Beclomethasone | 1 | LYS 129 (A) H-acceptor | −4.4156 | 14 |
Mometasone | 1 | VAL 608 (A) H-acceptor | −4.9213 | 11 |