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