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Changing Trends in Computational Drug Repositioning.

Jaswanth K Yella1, Suryanarayana Yaddanapudi2, Yunguan Wang3

  • 1Division of Biomedical Informatics, Cincinnati Children's Hospital Medical Center, 240 Albert Sabin Way MLC 7024, Cincinnati, OH 45229, USA. Jaswanth.Yella@cchmc.org.

Pharmaceuticals (Basel, Switzerland)
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Summary

Repurposing existing drugs offers a fruitful basis for new drug discovery. Computational methods are advancing drug repositioning by analyzing complex biological data to identify novel therapeutic applications.

Keywords:
computational drug repositioningcrowdsourcingdeep learningdrug discoverydrug repositioningdrug repurposingmachine learningopen innovation

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Area of Science:

  • Pharmacology
  • Bioinformatics
  • Computational Biology

Background:

  • Maximizing drug potential is driven by the principle of repurposing existing drugs.
  • Rational drug mixture design faces challenges due to limited in vivo biological pathway information.
  • Many successful drug repositioning cases arise serendipitously from late-stage clinical findings.

Purpose of the Study:

  • To explore computational drug repositioning strategies.
  • To address challenges in identifying new drug applications and predicting adverse reactions.
  • To discuss bioinformatics approaches for discovering pharmacomodules.

Main Methods:

  • Mining multiple datasets from various databases.
  • Independent and simultaneous analysis of diverse biological information.
  • Utilizing bioinformatics pipelines for drug repositioning.

Main Results:

  • Identification of pharmacomodules (biomolecular/pathway sub-networks).
  • Overcoming information silos to connect drug candidates with new applications or adverse reactions.
  • Highlighting promising bioinformatics approaches.

Conclusions:

  • Computational drug repositioning is a key research area.
  • Bioinformatics tools are crucial for uncovering hidden drug potential.
  • Advancements in data mining enhance the discovery of novel therapeutic uses for existing drugs.