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Integrating Microflow NMR into Fragment-based Drug Discovery

Integrating Microflow NMR into Fragment-based Drug Discovery. Research Focus: Drug discovery using NMRBackground on Fragment-based Drug DiscoveryNMR Equipment in the CPFM Flow Probe ApplicationsRoutine quality control of compound collectionsProtein 1H-15N HSQC screening of labeled proteinsFra

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Integrating Microflow NMR into Fragment-based Drug Discovery

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    1. Integrating Microflow NMR into Fragment-based Drug Discovery

    2. Integrating Microflow NMR into Fragment-based Drug Discovery Research Focus: Drug discovery using NMR Background on Fragment-based Drug Discovery NMR Equipment in the CPFM Flow Probe Applications Routine quality control of compound collections Protein 1H-15N HSQC screening of labeled proteins Fragment-based screening using STD (saturation transfer difference) NMR

    3. New Drug Design Paradigm: Fragment-Assembly San Diego, California Initially funded June, 1999 Raised $42.5 M in A and B rounds; $15 M in C round 50+ employees

    7. Triad Technology Platform – Internal use only Proprietary NMR-based drug design platform to generate drug leads Chemicals, proteins, software, databases, methods Proof of Principle completed (Series B, $30M) Leads for infectious disease targets Dual Business Strategy (Drug Discovery) Internal drug discovery & licensing early-stage leads Evolved into late-stage licensing (IND candidates) Triad ceased operations on 3/19/04: Drug licensing business model not practical

    8. Drug Discovery in Academics Can focus on developing enabling methods rather than drug leads. The longer view … Focus on diseases with smaller markets; third world diseases. The CPFM has resources to aid in drug discovery: compounds; databases; software; NMR screening capability – automation & labeled probes.

    11. NMR-based Drug Discovery at Marquette’s CPFM Focus on developing new methods Blending: chemistry, NMR screening, informatics Integrating use of microflow NMR Focus on infectious disease

    13. STD-based screening (STD = saturation transfer difference)

    14. STD-based screening (STD = saturation transfer difference)

    32. Acknowledgements

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