Drug Repurposing by Docking: Complete Method (with COVID Example)

By BioDockify Computational Research Team · September 12, 2026 · Applications

Drug repurposing by molecular docking — the 6-step workflow, approved-drug libraries, famous successes and failures, COVID-19 lessons, and designing a publishable repurposing study.

Read the complete article with tables, code and references on BioDockify.

Key References

• Pushpakom, S. et al. Drug repurposing: progress, challenges, and recommendations. Nat. Rev. Drug Discov. 18, 41-58 (2019).
• Ferreira, L.G. et al. Molecular docking and structure-based drug design strategies. Molecules 20, 13384-13421 (2015).

Scope & Limitations

Docking-derived repurposing hypotheses require experimental and clinical validation Approved-drug safety data does not transfer to new indications automatically