Fig. 8: Drug repurposing and molecular docking identify candidate PRDX4-targeting compounds and pathway coverage. | npj Precision Oncology

Fig. 8: Drug repurposing and molecular docking identify candidate PRDX4-targeting compounds and pathway coverage.

From: Integrative multi-omics and machine learning framework identifies PRDX4 as a redox-EMT regulator and predictive marker in bone-metastatic breast cancer

Fig. 8: Drug repurposing and molecular docking identify candidate PRDX4-targeting compounds and pathway coverage.

A Drug-target network centered on PRDX4 with 25 candidate drugs. B Top-scoring ligand bound in the PRDX4 pocket with annotated hydrogen bonds. C Docking score comparison for the top 20 drugs, with Docetaxel and Paclitaxel ranking highest. D Drug-pathway chord plot linking top-ranked drugs to five oncogenic pathways, where chord thickness indicates pathway coverage and multitargeting.

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