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Compound promiscuity: what can we learn from current data?

Ye Hu1, Jürgen Bajorath

  • 1Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, D-53113 Bonn, Germany.

Drug Discovery Today
|March 26, 2013
PubMed
Summary
This summary is machine-generated.

Drug development is shifting focus from target specificity to polypharmacology, where compounds interact with multiple targets. This polypharmacology, originating from compound promiscuity, is key to therapeutic efficacy, suggesting new drug design strategies.

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Area of Science:

  • Pharmacology
  • Drug Discovery
  • Medicinal Chemistry

Background:

  • The traditional drug development paradigm emphasizes high target specificity.
  • Emerging evidence suggests polypharmacology, or drugs interacting with multiple targets, is crucial for therapeutic success.
  • Compound promiscuity, the ability of a compound to interact with various targets, underlies polypharmacology.

Purpose of the Study:

  • To re-evaluate the importance of target specificity in drug development.
  • To explore the role of polypharmacology and compound promiscuity in therapeutic efficacy.
  • To propose new strategies for drug development considering polypharmacological effects.

Main Methods:

  • Analysis of existing compound activity data.
  • Evaluation of data selection criteria and measurement types influencing perceived promiscuity.
  • Distinguishing between target promiscuity and activity promiscuity.

Main Results:

  • Compound promiscuity is a widespread phenomenon, with many bioactive compounds annotated with multiple targets.
  • The extent of apparent promiscuity is significantly affected by data selection and assay measurement types.
  • Promiscuity across unrelated targets is less frequent than initially perceived.

Conclusions:

  • Apparent target promiscuity may often represent activity promiscuity across different assays rather than true promiscuity across unrelated targets.
  • Drug development strategies should consider polypharmacological effects and compound promiscuity for enhanced therapeutic outcomes.
  • Revisiting the specificity paradigm is necessary in light of polypharmacology's therapeutic relevance.