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Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors

Jason M. Rohde, Kyle R. Brimacombe, Li Liu, Michael E. Pacold, Adam Yasgar, Dorian M. Cheff, Tobie D. Lee, Ganesha Rai, Bolormaa Baljinnyam, Zhuyin Li, Anton Simeonov, Matthew D. Hall, Min Shen, David M. Sabatini, Matthew B. Boxer
doi: https://doi.org/10.1101/250340
Jason M. Rohde
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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  • For correspondence: jason.rohde@nih.gov
Kyle R. Brimacombe
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Li Liu
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USADepartment of Radiation Oncology, New York University Medical Center, 522 First Avenue, Smilow 907, New York, NY 10016
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Michael E. Pacold
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Adam Yasgar
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Dorian M. Cheff
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Tobie D. Lee
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Ganesha Rai
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Bolormaa Baljinnyam
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Zhuyin Li
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USABristol-Myers Squibb, Lead Discovery and Optimization, 3551 Lawrenceville Road, Princeton, NJ 08540
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Anton Simeonov
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Matthew D. Hall
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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Min Shen
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
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David M. Sabatini
Whitehead Institute for Biomedical Research, 9 Cambridge Center, Cambridge, MA, 02142, USABroad Institute of Harvard and Massachusetts Institute of Technology, 7 Cambridge Center, Cambridge, MA 02142, USA
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Matthew B. Boxer
National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USANexus Discovery Advisors, 7820B Wormans Mill Road, Suite 208, Frederick, MD 21701
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Article Information

doi 
https://doi.org/10.1101/250340
History 
  • January 19, 2018.
Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license.

Author Information

  1. Jason M. Rohdea,*,
  2. Kyle R. Brimacombea,
  3. Li Liua,h,
  4. Michael E. Pacolda,
  5. Adam Yasgara,
  6. Dorian M. Cheffa,
  7. Tobie D. Leea,
  8. Ganesha Raia,
  9. Bolormaa Baljinnyama,
  10. Zhuyin Lia,i,
  11. Anton Simeonova,
  12. Matthew D. Halla,
  13. Min Shena,
  14. David M. Sabatinib,e and
  15. Matthew B. Boxera,j
  1. aNational Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA
  2. bWhitehead Institute for Biomedical Research, 9 Cambridge Center, Cambridge, MA, 02142, USA
  3. cHoward Hughes Medical Institute, Department of Biology, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
  4. dKoch Institute for Integrative Cancer Research, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
  5. eBroad Institute of Harvard and Massachusetts Institute of Technology, 7 Cambridge Center, Cambridge, MA 02142, USA
  6. fDana-Farber Cancer Institute, Longwood Center, 350 Longwood Avenue, Boston, MA 02215, USA
  7. gDepartment of Radiation Oncology, Dana-Farber Cancer Institute, 450 Brookline Avenue, Boston, MA 02215, USA
  8. hDepartment of Radiation Oncology, New York University Medical Center, 522 First Avenue, Smilow 907, New York, NY 10016
  9. iBristol-Myers Squibb, Lead Discovery and Optimization, 3551 Lawrenceville Road, Princeton, NJ 08540
  10. jNexus Discovery Advisors, 7820B Wormans Mill Road, Suite 208, Frederick, MD 21701
  1. ↵*To whom correspondence should be addressed: Jason Rohde, Ph.D., 9800 Medical Center Dr., Rockville, MD 20850, Phone: 301-827-1755. Fax: 301-217-5736. Email: jason.rohde{at}nih.gov
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Posted January 19, 2018.
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Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors
Jason M. Rohde, Kyle R. Brimacombe, Li Liu, Michael E. Pacold, Adam Yasgar, Dorian M. Cheff, Tobie D. Lee, Ganesha Rai, Bolormaa Baljinnyam, Zhuyin Li, Anton Simeonov, Matthew D. Hall, Min Shen, David M. Sabatini, Matthew B. Boxer
bioRxiv 250340; doi: https://doi.org/10.1101/250340
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Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors
Jason M. Rohde, Kyle R. Brimacombe, Li Liu, Michael E. Pacold, Adam Yasgar, Dorian M. Cheff, Tobie D. Lee, Ganesha Rai, Bolormaa Baljinnyam, Zhuyin Li, Anton Simeonov, Matthew D. Hall, Min Shen, David M. Sabatini, Matthew B. Boxer
bioRxiv 250340; doi: https://doi.org/10.1101/250340

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