Rapid Discovery of Functional Small Molecule Ligands against Proteomic Targets through Library-Against-Library Screening

ACS Comb Sci. 2016 Jun 13;18(6):320-9. doi: 10.1021/acscombsci.5b00194. Epub 2016 May 3.

Abstract

Identifying "druggable" targets and their corresponding therapeutic agents are two fundamental challenges in drug discovery research. The one-bead-one-compound (OBOC) combinatorial library method has been developed to discover peptides or small molecules that bind to a specific target protein or elicit a specific cellular response. The phage display cDNA expression proteome library method has been employed to identify target proteins that interact with specific compounds. Here, we combined these two high-throughput approaches, efficiently interrogated approximately 10(13) possible molecular interactions, and identified 91 small molecule compound beads that interacted strongly with the phage library. Of 19 compounds resynthesized, 4 were cytotoxic against cancer cells; one of these compounds was found to interact with EIF5B and inhibit protein translation. As more binding pairs are confirmed and evaluated, the "library-against-library" screening approach and the resulting small molecule-protein domain interaction database may serve as a valuable tool for basic research and drug development.

Keywords: library-against-library screening; molecular interactions; one-bead-one-compound combinatorial library; phage display cDNA expression proteome library; small molecule compound beads.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Antineoplastic Agents / pharmacology
  • Benzimidazoles / chemical synthesis
  • Benzimidazoles / pharmacology
  • Cell Cycle
  • Cell Line
  • Combinatorial Chemistry Techniques / methods
  • DNA, Complementary / biosynthesis
  • DNA, Complementary / genetics
  • Drug Discovery / methods*
  • Drug Screening Assays, Antitumor
  • High-Throughput Screening Assays
  • Humans
  • Jurkat Cells
  • Ligands
  • Methionine / metabolism
  • Peptide Library*
  • Proteomics / methods*
  • Small Molecule Libraries*

Substances

  • Antineoplastic Agents
  • Benzimidazoles
  • DNA, Complementary
  • Ligands
  • Peptide Library
  • Small Molecule Libraries
  • Methionine