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