bradley research sept 2007
DESCRIPTION
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.TRANSCRIPT
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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
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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
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The Ugi Reaction
Virtual library of 500K Ugi products
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Some Ugi products predicted to bind to malarial enzymes
Enoyl reductase
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Falcipain-2
• Breaks down hemoglobin
• Collaboration with the Rosenthal group at UCSF
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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.
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Closing the Loop
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• 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
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The public wiki is the lab notebook Each Experiment on a Wiki Page
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Tracking Experiment Edits(advisor’s comments in bold/italics)
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Experiment History
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Monitoring experimental progress
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Third Party Time-Stamp on Experiment Versions
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Graphical Mining of Data with JSpecView
usefulchem.wikispaces.com/Exp070 (48h 7 min)
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usefulchem.blogspot.com
The blog as an integrative tool
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How are people finding our experiments?
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Molecules found by InChI
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Comments from peers
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Mailing List Facilitates inter-group collaboration
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Telling the story of the failures
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Mechanistic Studies of acid-catalyzed furfuryl group cleavage
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What is the role of the amide as a leaving group?
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Group present/past
• Khalid Mirza
• Rikesh Parikh
• Mitesh Shah
• Sean Gardner
• Jessica Colditz
• Dave Strumfels
• James Giammarco