Donated chemical probes for open science

  • Elife. 2018 Apr 20;7:e34311. doi: 10.7554/eLife.34311.
Susanne Müller  1 ,  Suzanne Ackloo  2 ,  Cheryl H Arrowsmith  3 ,  Marcus Bauser  4 ,  Jeremy L Baryza  5 ,  Julian Blagg  6 ,  Jark Böttcher  7 ,  Chas Bountra  8 ,  Peter J Brown  2 ,  Mark E Bunnage  5 ,  Adrian J Carter  9 ,  David Damerell  8 ,  Volker Dötsch  10  11 ,  David H Drewry  12 ,  Aled M Edwards  2 ,  James Edwards  13 ,  Jon M Elkins  8 ,  Christian Fischer  14 ,  Stephen V Frye  15 ,  Andreas Gollner  16 ,  Charles E Grimshaw  17 ,  Adriaan IJzerman  18 ,  Thomas Hanke  1 ,  Ingo V Hartung  4 ,  Steve Hitchcock  19 ,  Trevor Howe  20 ,  Terry V Hughes  20 ,  Stefan Laufer  21 ,  Volkhart Mj Li  22 ,  Spiros Liras  23 ,  Brian D Marsden  8  24 ,  Hisanori Matsui  25 ,  John Mathias  23 ,  Ronan C O'Hagan  14 ,  Dafydd R Owen  23 ,  Vineet Pande  26 ,  Daniel Rauh  27 ,  Saul H Rosenberg  28 ,  Bryan L Roth  29 ,  Natalie S Schneider  1 ,  Cora Scholten  4 ,  Kumar Singh Saikatendu  19 ,  Anton Simeonov  30 ,  Masayuki Takizawa  31 ,  Chris Tse  28 ,  Paul R Thompson  32 ,  Daniel K Treiber  33 ,  Amélia Yi Viana  9 ,  Carrow I Wells  12 ,  Timothy M Willson  12 ,  William J Zuercher  12 ,  Stefan Knapp  1 ,  Anke Mueller-Fahrnow  4
Affiliations
  • 1. Structural Genomics Consortium, Buchmann Institute for Molecular Life Sciences, Goethe University Frankfurt, Frankfurt am Main, Germany.
  • 2. Structural Genomics Consortium, University of Toronto, Toronto, Canada.
  • 3. Department of Medical Biophysics, University of Toronto, Toronto, Canada.
  • 4. Drug Discovery Pharmaceuticals, Bayer AG, Berlin, Germany.
  • 5. Vertex Pharmaceuticals, Boston, United States.
  • 6. Cancer Research UK Cancer Therapeutics Unit, The Institute of Cancer Research, London, United Kingdom.
  • 7. Discovery Research, Boehringer Ingelheim, Vienna, Austria.
  • 8. Structural Genomics Consortium, Nuffield Department of Medicine, University of Oxford, Oxford, United Kingdom.
  • 9. Discovery Research, Boehringer Ingelheim, Ingelheim am Rhein, Germany.
  • 10. Institute of Biophysical Chemistry, Goethe-University, Frankfurt am Main, Germany.
  • 11. Center for Biomolecular Magnetic Resonance, Goethe University, Frankfurt am Main, Germany.
  • 12. Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, United States.
  • 13. Janssen Pharmaceutical Research and Development LLC, Spring House, United States.
  • 14. Merck & Co., Inc., Boston, United States.
  • 15. Center for Integrative Chemical Biology and Drug Discovery, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, United States.
  • 16. Discovery Research, Boehringer Ingelheim, Biberach an der Riss, Germany.
  • 17. Ched Grimshaw Consulting, LLC, Poway, United States.
  • 18. Division of Medicinal Chemistry, Leiden University, Leiden, Netherlands.
  • 19. Takeda California Inc., San Diego, United States.
  • 20. J&J Innovation Centre, London, United Kingdom.
  • 21. Department of Pharmaceutical Chemistry, Eberhard Karls Universität Tübingen, Tübingen, Germany.
  • 22. Drug Discovery Pharmaceuticals, Bayer AG, Wuppertal, Germany.
  • 23. Worldwide Medicinal Chemistry, Pfizer, Cambridge, United States.
  • 24. Kennedy Institute of Rheumatology, University of Oxford, Oxford, United Kingdom.
  • 25. Takeda Pharmaceutical Company Ltd, Fujisawa, Japan.
  • 26. Discovery Sciences, Janssen-Pharmaceutical Companies of Johnson & Johnson, Beerse, Belgium.
  • 27. Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund, Dortmund, Germany.
  • 28. AbbVie, North Chicago, United States.
  • 29. The National Institute of Mental Health Psychoactive Active Drug Screening Program, University of North Carolina Chapel Hill School of Medicine, Chapel Hill, United States.
  • 30. National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, United States.
  • 31. Takeda Pharmaceutical Company Ltd., Fujisawa, Japan.
  • 32. Department of Biochemistry and Pharmacology, University of Massachusetts Medical School, Worcester, United States.
  • 33. Eurofins DiscoverX, Sane Diego, United States.
PMID: 29676732 DOI: 10.7554/eLife.34311
Abstract

Potent, selective and broadly characterized small molecule modulators of protein function (chemical probes) are powerful research reagents. The pharmaceutical industry has generated many high-quality chemical probes and several of these have been made available to academia. However, probe-associated data and control compounds, such as inactive structurally related molecules and their associated data, are generally not accessible. The lack of data and guidance makes it difficult for researchers to decide which chemical tools to choose. Several pharmaceutical companies (AbbVie, Bayer, Boehringer Ingelheim, Janssen, MSD, Pfizer, and Takeda) have therefore entered into a pre-competitive collaboration to make available a large number of innovative high-quality probes, including all probe-associated data, control compounds and recommendations on use (<ext-link ext-link-type="uri" xlink:href="https://openscienceprobes.sgc-frankfurt.de">https://openscienceprobes.sgc-frankfurt.de</ext-link><ext-link ext-link-type="uri" xlink:href="https://openscienceprobes.sgc-frankfurt.de/">/</ext-link>). Here we describe the chemical tools and target-related knowledge that have been made available, and encourage Others to join the project.

Keywords
Chemical probes; Open Science; Target validation; biochemistry; chemical biology.
Products