Bradley Research Sept 2007
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Transcript of Bradley Research Sept 2007
The synthesis of anti-malarial and anti-tumor agents using the Ugi
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Jean-Claude Bradley
September 26, 2007
Research Mini-Symposium at Drexel University
The Malaria Problem
• Over 300 million people a year infected
• Over 1 million deaths per year
• Increasing resistance to existing drugs means there is a pressing need for new anti-malarial agents
The Ugi Reaction
Virtual library of 500K Ugi products
Some Ugi products predicted to bind to malarial enzymes
Enoyl reductase
Falcipain-2
• Breaks down hemoglobin
• Collaboration with the Rosenthal group at UCSF
Open Primary Research in Drug Design using Web2.0 tools
(blogs, wikis, Second Life, mailing lists)
Docking
Synthesis
Testing
Rajarshi GuhaIndiana U
JC BradleyDrexel U
Phil RosenthalUCSF
(malaria)
Dan ZaharevitzNCI
(tumors)
Tsu-Soo TanNanyang Poly.
Closing the Loop
• Wired Magazine• Nature blogs• C&E News• Cell• Per Contra• Assignment Zero• NPR Marketplace• Chemistry Central• 3 Quarks Daily
The UsefulChem Project and Open Notebook Science in the media
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
• Khalid Mirza
• Rikesh Parikh
• Mitesh Shah
• Sean Gardner
• Jessica Colditz
• Dave Strumfels
• James Giammarco