Analysis of DNA-Encoded Library Screening Data: Selection of Molecules for Synthesis

Methods Mol Biol. 2022:2541:195-205. doi: 10.1007/978-1-0716-2545-3_23.

Abstract

DNA-encoded library (DEL) screens are used to discover novel chemical matter capable of modulating the activity of pharmaceutically interesting protein targets. DEL selections are accomplished by immobilizing a target protein on a resin and capturing library molecules that bind to the target. The barcodes of the captured library molecules are then amplified and sequenced. This chapter outlines simple methods for visualizing the resulting screening data (using free open-source software), such that enriched molecules can be selected for synthesis and follow-up activity confirmation. Measures of enrichment and the concept of sub-libraries are also illustrated.

Keywords: DNA-encoded library; Data visualization; Enrichment; Hit molecules; Library; Screening; Small molecules; Triazine; Truncates.

MeSH terms

  • Base Sequence
  • DNA* / chemistry
  • DNA* / genetics
  • Gene Library
  • Small Molecule Libraries* / chemistry

Substances

  • Small Molecule Libraries
  • DNA