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Structure-based drug repositioning: Potential and limits.

Melissa F Adasme1, Daniele Parisi2, Anastasia Sveshnikova1

  • 1Biotechnology Center (BIOTEC), Technische Universität Dresden, 01307 Dresden, Germany.

Seminars in Cancer Biology
|February 8, 2020
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Summary
This summary is machine-generated.

Drug repositioning identifies new uses for existing drugs. Structural analysis of drug-target interactions reveals potential applications, but target data availability limits this approach.

Keywords:
Drug repositioningRepurposed drugsStructure-based screening

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Area of Science:

  • Pharmacology
  • Drug Discovery
  • Structural Biology

Background:

  • Drug repositioning is a validated strategy for identifying new therapeutic uses for existing drugs.
  • Numerous repurposed drugs are approved or in clinical development, highlighting the field's success.
  • Understanding drug-target interactions is key to successful repositioning.

Purpose of the Study:

  • To explore drug repositioning through a structural lens, focusing on drug-target interactions.
  • To review case studies of drug repositioning with potential in oncology and autoimmune diseases.
  • To identify essential tools and data for a structure-based drug repositioning strategy.

Main Methods:

  • Structural analysis of drug-target interactions for three distinct use cases.
  • Review of computational tools and databases relevant to structural drug repositioning.
  • Assessment of data availability for drug targets.

Main Results:

  • Detailed examination of three drug repositioning case studies, including a herpes drug for cancer and a cancer drug for autoimmune disease.
  • Identification of key structural features driving drug-target interactions.
  • Highlighting the critical role of target data availability in enabling structure-based drug repositioning.

Conclusions:

  • Structural drug repositioning offers a powerful approach to uncover novel therapeutic applications for known drugs.
  • The full potential of structural drug repositioning is currently constrained by the limited availability of comprehensive target data.
  • Further development of target databases is crucial for advancing this drug discovery strategy.