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Table 4 Docking results of available proteins with small molecules

From: Identification of potential drug targets for rheumatoid arthritis from genetic insights: a Mendelian randomization study

Target

PDB ID

Drug

PubChem ID

Binding energy

FEN1

3UVU

Rhein

10,168

− 6.699

FEN1

3UVU

Tyrphostin AG 538

5,328,760

− 7.252

FEN1

3UVU

Quercetin

5,280,343

− 7.046

C5

3CU7

Quercetin

5,280,343

− 9.364

ATP2A1

O14983 (EMBL-EBI)

Quercetin

5,280,343

− 7.789

IFNGR2

5EH1

Quercetin

5,280,343

− 5.71

HLA-DPA1

4P5K

(–)-isoprenaline

443,372

− 5.428

  1. The lower the Binding Energy, the better the binding effect and the higher the affinity
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Journal of Translational Medicine

ISSN: 1479-5876

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