Pan-assay interference compounds

Cartoon depiction of a representative an-assay interference compound. The drug-like molecule specifically interacts with target B, but the PAINS-like compound non-specifically interacts with multiple targets

Pan-assay interference compounds, also referred to as PAINS in the assay or simply PAINS, are chemical compounds that are often false positives in high-throughput screens.[1] PAINS tend to nonspecifically react with numerous biological targets rather than specifically affecting one desired target.[2] A number of disruptive functional groups are shared by many PAINS.[2]

See also

Drug discovery

References

  1. ↑ Dahlin, JL; Nissink, JW; Strasser, JM; Francis, S; Higgins, L; Zhou, H; Zhang, Z; Walters, MA (12 March 2015). "PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.". Journal of Medicinal Chemistry. 58 (5): 2091–113. doi:10.1021/jm5019093. PMC 4360378Freely accessible. PMID 25634295.
  2. 1 2 Baell, Jonathan; Walters, Michael A. (24 September 2014). "Chemistry: Chemical con artists foil drug discovery". Nature. 513 (7519): 481–483. doi:10.1038/513481a.


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