The document discusses the synthesis of anti-malarial compounds using open notebook science, emphasizing the motivation for faster and better scientific research. It outlines methodologies including drug design, docking, and testing, and notes collaborations among various institutions. The results highlight best practices and outcomes from experiments, with acknowledgments to contributors in the field.

1. The Synthesis of anti-malarial compounds using Open Notebook Science Jean-Claude Bradley Oct 10, 2008 Drexel MiniSymposium Associate Professor of Chemistry Drexel University

2. Motivation: Faster Science, Better Science

3. Malaria Target: falcipain-2 involved in hemoglobin metabolism Dana.org

4. UsefulChem Project: Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.

5. BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant ChemSpider CDD FriendFeed Nature Precedings JoVE

6. Where’s the Beef?

7. Link to Lab Notebook Page in Wiki

8. Link to Molecules

9. Link to Docking Procedure (Rajarshi Guha)

10. Link to Docking Results: Lists of SMILES in GoogleDocs (Rajarshi Guha)

11. Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)

12. Conclusion is Fully Supported

13. How did this experiment evolve? Third party timestamp

14. Comparing wiki page versions

15. Comparing Experiments Ugi Master Table

16. Concentration (0.4, 0.2, 0.07 M) Solvent (methanol, ethanol, acetonitrile, THF) Excess of some reagents (1.2 eq.) Reaction to Optimize

17. Mettler-Toledo MiniBlock System

18. Mettler-Toledo MiniMapper

19. XML reports from MiniMapper robot

20. GoogleDoc to program and report

21. Paper written on Wiki

22. References to papers, blog posts, lab notebook pages, raw data

23. Paper on Journal of Visualized Experiments (JoVE)

24. Pre-print on Nature Precedings

25. Best Yield: 66% 0.4 M methanol 1.2 eq imine

26. Methanol 0.4M xs of imine best

27. Outcome of Guha-Bradley-Rosenthal collboration

28. Measuring Solubilities in Southampton with Cameron Neylon Sept 3, 2008 usefulchem.wikispaces.com/exp207

29. Investigating solubilities in organic solvents Boc-glycine vanillin glucose NaCl

30. The Results in a GoogleDoc reliable unreliable

32. Acknowledgements Khalid Mirza (Drexel) Kevin Owens (Drexel) Tim Bohinsky (Drexel) James Giammarco (Drexel) Tom Osborne (Mettler-Toledo) Antony Williams (ChemSpider) Andrew Lang (Oral Roberts U.) Cameron Neylon (Southampton U.)