How to Triage PAINS-Full Research

Assay Drug Dev Technol. 2016 Apr;14(3):168-74. doi: 10.1089/adt.2015.674. Epub 2015 Oct 23.

Abstract

Nonspecific bioactivity and assay artifacts have gained increasing attention in recent years. This focus has arisen primarily from the publication of a set of chemical substructures, termed pan assay interference compounds (PAINS), which are associated with promiscuous bioactivity and assay interference in real and virtual high-throughput screening (HTS) campaigns. Despite an increasing awareness in the HTS and medicinal chemistry communities about the liabilities of these compounds, articles featuring PAINS and PAINS-like compounds are still being published. In this perspective, we describe some of the factors we believe are driving this resource-sapping trend. We also provide what we hope are helpful insights that may lead to the earlier recognition of these generally nontranslatable compounds, thus preventing the propagation of PAINS-full costly research.

Publication types

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

MeSH terms

  • Artifacts*
  • Chemistry, Pharmaceutical
  • Drug Discovery / methods*
  • High-Throughput Screening Assays / methods*
  • Humans
  • Molecular Structure
  • Organic Chemicals / chemistry
  • Organic Chemicals / pharmacology
  • Organic Chemicals / therapeutic use

Substances

  • Organic Chemicals