2,677
Views
0
CrossRef citations to date
0
Altmetric
Editorial

Evolution of assay interference concepts in drug discovery

Pages 719-721 | Received 08 Jan 2021, Accepted 10 Mar 2021, Published online: 18 Mar 2021

References

  • Aldrich C, Bertozzi C, Georg GI, et al. The ecstasy and agony of assay interference compounds. J Med Chem. 2017;60:2165–2168.
  • Baell JB, Walters MA. Chemistry: chemical con artists foil drug discovery. Nature. 2014;513:481–483.
  • McGovern SL, Caselli E, Griorieff N, et al. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem. 2002;45:1712–1722.
  • Irwin JJ, Duan D, Torosyan H, et al. An aggregation advisor for ligand discovery. J Med Chem. 2015;58:1712–1722.
  • Baell JB, Holloway GA. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem. 2010;53:2719–2740. .
  • Baell JB, Nissink JWM. Seven year itch: pan-assay interference compounds (PAINS) in 2017 - utility and limitations. ACS Chem Biol. 2018;13:36–44.
  • Bisson J, McAlpine JB, Friesen JB, et al. Can invalid bioactives undermine natural product-based drug discovery? J Med Chem. 2016;59:1671–1690.
  • Bruns RF, Watson IA. Rules for identifying potentially reactive or promiscuous compounds. J Med Chem. 2012;55:9763–9772. .
  • Dahlin JL, Nissink JWM, Strasser JM, et al. PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS. J Med Chem. 2015;58:2091–2113. .
  • Nelson KM, Dahlin JL, Bisson J, et al.The essential medicinal chemistry of curcumin.J Med Chem.2017;60:1620−1637.
  • Reis J, Gaspar A, Milhazes N, et al. Chromone as a privileged scaffold in drug discovery: recent advances. J Med Chem. 2017;60:7941–7957.
  • Mendgen T, Steuer C, Klein CD. Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. J Med Chem. 2012;55:743–753.
  • Capuzzi SJ, Muratov EN, Phantom TA. PAINS: problems with the utility of alerts for pan-assay INterference compoundS. J Chem Inf Model. 2017;57:417–427.
  • Jasial S, Hu BJ. How frequently are pan assay interference compounds active? Large-scale analysis of screening data reveals diverse activity profiles, low global hit frequency, and many consistently inactive compounds. J Med Chem. 2017;60:3879–3886.
  • Gilberg E, Gütschow M, Bajorath J. X-ray structures of target-ligand complexes containing compounds with assay interference potential. J Med Chem. 2018;61:1276–1284.
  • Gilberg E, Stumpfe D, Bajorath J. Towards a systematic assessment of assay interference: identification of extensively tested compounds with high assay promiscuity. F1000Res. 2017;6(ChemInf Sci):e1505.
  • Stumpfe D, Gilberg E, Bajorath J. Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference. Future Sci OA. 2018;4:FSO279.
  • Dahlin JL, Auld DS, Rothenaigner I, et al. Nuisance compounds in cellular assays. Cell Chem Biol. in press. DOI:10.1016/j.chembiol.2021.01.021

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.