What is the potential of structure-based target prediction methods?

Future Med Chem. 2014;6(18):1987-9. doi: 10.4155/fmc.14.135.
No abstract available

Keywords: drug repurposing; inverse docking; inverse screening; off-targets; polypharmacology; reverse docking; structure-based target prediction; target fishing.

Publication types

  • Editorial

MeSH terms

  • Binding Sites
  • Drug Design
  • Ligands
  • Molecular Docking Simulation*
  • Protein Structure, Tertiary
  • Proteins / chemistry*
  • Proteins / metabolism

Substances

  • Ligands
  • Proteins