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Table 3 Binding energy of β-sitosterol to targets in PPI network

From: Computation and molecular pharmacology to trace the anti-rheumatoid activity of Angelicae Pubescentis Radix

Target

PDB ID

Affinity

VEGFA

1VPF

−6.1

NOS3

1M9J

−8.9

JUN

1A02

−5.4

PTGS2

5F19

−7.9

SLC6A3

4XPF

−7.8

BCL2L1

1YSN

−8

PRKACA

1CDK

−7.8

CASP9

2AR9

−6.6

BAX

1F16

−7.4

F2

7TPP

−7.6

  1. Abbreviations: PPI Protein-protein interaction, PDB Protein Data Bank, VEGFA Vascular endothelial growth factor-A, NOS3 Endothelial nitric oxide synthase, JUN Jun proto-oncogene, PTGS2 Prostaglandin endoperoxide synthase-2, SLC6A3 Solute carrier family 6 (neurotransmitter transporter), member 3; BCL2L1 B-cell lymphoma-2-like protein 1, PRKACA Protein kinase A, CASP9 Caspase-9, BAX BCL2-associated X, F2 Coagulation factor II