Detection of Small-Molecule Aggregation with High-Throughput Microplate Biophysical Methods

Curr Protoc Chem Biol. 2020 Mar;12(1):e78. doi: 10.1002/cpch.78.

Abstract

Small-molecule drug discovery can be hindered by the formation of aggregates that act as non-selective inhibitors of drug targets. Such aggregates appear as false positives in high-throughput screening campaigns and can bedevil structure-activity relationships during compound optimization. Protocols are described for resonant waveguide grating (RWG) and dynamic light scattering (DLS) as microplate-based high-throughput approaches to identify compound aggregation. Resonant waveguide grating and dynamic light scattering give equivalent results for the compound test set, as assessed with Bland-Altman analysis. © 2019 The Authors. Basic Protocol 1: Resonant waveguide grating (RWG) in 384-well or 1536-well plate format to detect compound aggregation Basic Protocol 2: Dynamic light scattering (DLS) in 384-well plate format to detect compound aggregation.

Keywords: aggregation; critical aggregation concentration; dynamic light scattering; high-throughput screening; resonant waveguide grating.

MeSH terms

  • Artifacts*
  • Drug Discovery / methods
  • Dynamic Light Scattering
  • High-Throughput Screening Assays / methods*
  • Pharmaceutical Preparations / chemistry*
  • Small Molecule Libraries / analysis*
  • Small Molecule Libraries / chemistry*

Substances

  • Pharmaceutical Preparations
  • Small Molecule Libraries