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DRUG DISCOVERY

DRUG DISCOVERY. Random Search e.g., buying paintbrush, mop, hammer, gluestick, nail, etc. etc. for hanging a picture frame on the wall Rational Design e.g., buying a nail for hanging the frame Combinatorial Search

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DRUG DISCOVERY

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  1. DRUG DISCOVERY • Random Search • e.g., buying paintbrush, mop, hammer, gluestick, nail, etc. etc. • for hanging a picture frame on the wall • Rational Design • e.g., buying a nail for hanging the frame • Combinatorial Search • e.g., buying a box of nails of different sizes for hanging the frame

  2. > 15 years ~ 1 NDA > $500 million ~ 5 IND Time Cost ~ 250 in vivo ~ 500 in vitro > 10,000 compounds WHY COMBINATORIAL CHEMISTRY?

  3. Biological Discovery Biodisposition High Volume Screening Toxicity IND Lead Series Combinatorial Diversity Efficacy Structure, Design, Informatics Pharmacokinetics Lead Discovery Iterative Preclinical Research Process R&D FULL TOOLBOX REQUIRED TO COMPETE

  4. + X X X Y Y Y ……….. 9 products GENERATING A COMBINATORIAL LIBRARY MIXTURE SYNTHESIS

  5. + I) X Y + II) X Y + Y III) X Ser Ala Tyr Arg SPATIALLY ADDRESSABLE SYNTHESIS

  6. Y SPLIT Y Y Y X X X MIX SPLIT AND MIX STRATEGY

  7. SPLIT AND MIX STRATEGY MIX and SPLIT

  8. Y SPLIT Y Y Y X X X MIX DECONVOLUTION BY TAGGING

  9. MIX and SPLIT DECONVOLUTION BY TAGGING (continued)

  10. SPLIT N1 N2 N3 A2 A3 A1 MIX and SPLIT A1 A2 A3 N1N2 N2N2 N3N2 N1N1 N2N1 N3N1 A2A2 A3A2 A2A1 A3A1 A1A2 A1A1 N1N3 N2N3 N3N3 A2A3 A3A3 A1A3 DECONVOLUTION BY ENCODED DNA

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