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Table 2 Predicted targets of Procoxacin by virtual screening

From: Procoxacin bidirectionally inhibits osteoblastic and osteoclastic activity in bone and suppresses bone metastasis of prostate cancer

Target

Ligand

Similaritya

PBD ID

ΔGb

RAF/14-3-3ζ complex

0.87/0.41

4IHL

-9.4

FKBP/mTOR complex

0.83/0.35

4DRI

4DRJ

4DRH

-9.1

Protein phosphatase PP1

0.94/0.43

1JK7

1U32

-7.5

Nuclear receptor RORγ

0.86/0.35

3B0W

-6.6

Actin

0.81/0.37

2ASP

-5.7

  1. aDice similarity coefficient with the topological pharmacophore fingerprint and Morgan fingerprint, respectively
  2. bPredicted by molecular docking of Pro with targets in kcal/mol