Cryo-EM for Small Molecules Discovery, Design, Understanding, and Application

Cell Chem Biol. 2018 Nov 15;25(11):1318-1325. doi: 10.1016/j.chembiol.2018.07.006. Epub 2018 Aug 9.

Abstract

We present a perspective of our view of the application of cryoelectron microscopy (cryo-EM) to structure-based drug design (SBDD). We discuss the basic needs and requirements for SBDD, the current state of cryo-EM, and the challenges that need to be overcome for this technique to reach its full potential in facilitating the process of drug discovery.

Keywords: automation; cryo-EM; structure-based drug discovery.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Animals
  • Cryoelectron Microscopy / instrumentation*
  • Cryoelectron Microscopy / methods
  • Drug Design*
  • Drug Discovery / instrumentation*
  • Drug Discovery / methods
  • Equipment Design
  • Humans
  • Ligands
  • Molecular Docking Simulation
  • Protein Binding
  • Proteins / chemistry
  • Proteins / metabolism
  • Proteins / ultrastructure
  • Small Molecule Libraries / chemistry*
  • Small Molecule Libraries / pharmacology

Substances

  • Ligands
  • Proteins
  • Small Molecule Libraries