Structure-based view of the druggable genome

Drug Discov Today. 2020 Mar;25(3):561-567. doi: 10.1016/j.drudis.2020.02.006. Epub 2020 Feb 19.

Abstract

International efforts are underway to develop chemical probes for specific protein families, and a 'Target 2035' call to expand these efforts towards a comprehensive chemical coverage of the druggable human genome was recently announced. But what is the druggable genome? Here, we systematically review structures of proteins bound to drug-like ligands available from the Protein Data Bank (PDB) and use ligand desolvation upon binding as a druggability metric to draw a landscape of the human druggable genome. The vast majority of druggable protein families, including some highly populated and disease-associated families, are almost orphan of small-molecule ligands. We propose a list of 46 druggable domains representing 3440 human proteins that could be the focus of large chemical probe discovery efforts.

Publication types

  • Research Support, Non-U.S. Gov't
  • Systematic Review

MeSH terms

  • Databases, Protein
  • Drug Design
  • Drug Discovery / methods*
  • Genome, Human*
  • Humans
  • Ligands
  • Protein Binding
  • Proteins / chemistry*
  • Proteins / metabolism

Substances

  • Ligands
  • Proteins