The synthesis of anti-malarial and anti-tumor agents using the Ugi Reaction Jean-Claude Bradley September 26, 2007 Researc...
The Malaria Problem <ul><li>Over 300 million people a year infected </li></ul><ul><li>Over 1 million deaths per year </li>...
The Ugi Reaction Virtual library of 500K Ugi products
Some Ugi products predicted to bind to malarial enzymes Enoyl reductase
Falcipain-2 <ul><li>Breaks down hemoglobin </li></ul><ul><li>Collaboration with the Rosenthal group at UCSF </li></ul>
Open Primary Research in Drug Design using Web2.0 tools (blogs, wikis, Second Life, mailing lists) Docking Synthesis Testi...
Closing the Loop
<ul><li>Wired Magazine </li></ul><ul><li>Nature blogs </li></ul><ul><li>C&E News </li></ul><ul><li>Cell </li></ul><ul><li>...
The public wiki is the lab notebook Each Experiment on a Wiki Page
Tracking Experiment Edits (advisor’s comments in bold/italics)
Experiment History
Monitoring experimental progress
Third Party Time-Stamp on Experiment Versions
Graphical Mining of Data with JSpecView usefulchem.wikispaces.com/Exp070 (48h 7 min)
usefulchem.blogspot.com The blog as an integrative tool
How are people finding our experiments?
Molecules found by InChI
Comments from peers
Mailing List Facilitates inter-group collaboration
Telling the story of the failures
Mechanistic Studies of acid-catalyzed furfuryl group cleavage
What is the role of the amide as a leaving group?
Group present/past <ul><li>Khalid Mirza </li></ul><ul><li>Rikesh Parikh </li></ul><ul><li>Mitesh Shah </li></ul><ul><li>Se...
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Bradley Research Sept 2007

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A summary of the research work of Jean-Claude Bradley at Drexel University September 2007. A few slides on the CombiUgi project and malaria then some screenshots of the Open Notebook Science project UsefulChem.

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Bradley Research Sept 2007

  1. 1. The synthesis of anti-malarial and anti-tumor agents using the Ugi Reaction Jean-Claude Bradley September 26, 2007 Research Mini-Symposium at Drexel University
  2. 2. The Malaria Problem <ul><li>Over 300 million people a year infected </li></ul><ul><li>Over 1 million deaths per year </li></ul><ul><li>Increasing resistance to existing drugs means there is a pressing need for new anti-malarial agents </li></ul>
  3. 3. The Ugi Reaction Virtual library of 500K Ugi products
  4. 4. Some Ugi products predicted to bind to malarial enzymes Enoyl reductase
  5. 5. Falcipain-2 <ul><li>Breaks down hemoglobin </li></ul><ul><li>Collaboration with the Rosenthal group at UCSF </li></ul>
  6. 6. Open Primary Research in Drug Design using Web2.0 tools (blogs, wikis, Second Life, mailing lists) Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Poly.
  7. 7. Closing the Loop
  8. 8. <ul><li>Wired Magazine </li></ul><ul><li>Nature blogs </li></ul><ul><li>C&E News </li></ul><ul><li>Cell </li></ul><ul><li>Per Contra </li></ul><ul><li>Assignment Zero </li></ul><ul><li>NPR Marketplace </li></ul><ul><li>Chemistry Central </li></ul><ul><li>3 Quarks Daily </li></ul>The UsefulChem Project and Open Notebook Science in the media
  9. 9. The public wiki is the lab notebook Each Experiment on a Wiki Page
  10. 10. Tracking Experiment Edits (advisor’s comments in bold/italics)
  11. 11. Experiment History
  12. 12. Monitoring experimental progress
  13. 13. Third Party Time-Stamp on Experiment Versions
  14. 14. Graphical Mining of Data with JSpecView usefulchem.wikispaces.com/Exp070 (48h 7 min)
  15. 15. usefulchem.blogspot.com The blog as an integrative tool
  16. 16. How are people finding our experiments?
  17. 17. Molecules found by InChI
  18. 18. Comments from peers
  19. 19. Mailing List Facilitates inter-group collaboration
  20. 20. Telling the story of the failures
  21. 21. Mechanistic Studies of acid-catalyzed furfuryl group cleavage
  22. 22. What is the role of the amide as a leaving group?
  23. 23. Group present/past <ul><li>Khalid Mirza </li></ul><ul><li>Rikesh Parikh </li></ul><ul><li>Mitesh Shah </li></ul><ul><li>Sean Gardner </li></ul><ul><li>Jessica Colditz </li></ul><ul><li>Dave Strumfels </li></ul><ul><li>James Giammarco </li></ul>

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