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Drug repurposing in silico screening platforms.

Jonathan G L Mullins1,2

  • 1Genome and Structural Bioinformatics, Institute of Life Science, Swansea University Medical School, Singleton Park, Swansea SA2 8PP, U.K.

Biochemical Society Transactions
|March 14, 2022
PubMed
Summary
This summary is machine-generated.

Dedicated in silico platforms for drug repurposing have advanced significantly, integrating artificial intelligence and machine learning. These computational tools enhance precision and broaden discovery scope for various diseases, though challenges remain in platform integration.

Keywords:
computational biochemistrycomputational biologydrug discovery and designmolecular dockingplatformsprotein structure

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Area of Science:

  • Computational biology
  • Pharmacology
  • Bioinformatics

Background:

  • Significant advancements in computational platforms for drug repurposing have emerged over the past decade.
  • These platforms target a wide range of diseases, including cancers, infectious diseases, and chronic conditions.

Purpose of the Study:

  • To review advances in in silico drug repurposing, focusing on generic platform technologies.
  • To highlight the integration of computational methods and their impact on drug discovery.

Main Methods:

  • Review of recent literature on in silico drug repurposing methodologies.
  • Focus on advancements in molecular docking, machine learning, and deep learning.
  • Integration of molecular mechanisms, pathway data, and disease networks.

Main Results:

  • Development of sophisticated in silico platforms leveraging AI and machine learning.
  • Enhanced precision in drug repurposing through advanced computational approaches.
  • Widened scope for discovering repurposing opportunities by integrating diverse biological data.

Conclusions:

  • In silico drug repurposing platforms are crucial for programmatic drug discovery.
  • Continued integration of AI and advanced computational methods is key.
  • Essential component requirements for optimized drug repurposing screening platforms are discussed.