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SUMMARY:AnchorQuery: Interactive and efficient discovery tool of small mol
 ecule protein-protein interaction       antagonists - Carlos Carmachio
DTSTART:20121121T101500Z
DTEND:20121121T111500Z
UID:TALK39530@talks.cam.ac.uk
CONTACT:23791
DESCRIPTION:Although there is no shortage of potential drug targets\, ther
 e are only a handful known low molecular weight\n      inhibitors of prote
 in-protein interactions (PPIs). One problem is that current efforts are do
 minated by\n      low-yield high-throughput screening\, whose rigid framew
 ork is not suitable for the diverse chemotypes\n      present in PPIs. Her
 e\, we developed a novel pharmacophore-based interactive screening technol
 ogy that builds\n      on the role anchor residues\, or deeply buried hot 
 spots\, have in PPIs\, and redesigns these entry points with\n      anchor
 -biased virtual multicomponent reactions\, delivering tens of millions of 
 readily synthesizable novel\n      compounds. Application of this approach
  to the MDM2/p53 cancer target led to high hit rates\, resulting in a\n   
    large and diverse set of confirmed inhibitors. Our unique open-access t
 echnology promises to both expand\n      chemical space and develop new pr
 obes to study protein function by leveraging in-house small-scale assays\n
       and user-friendly chemistry to rationally design ligands for PPIs wi
 th known structure.\n
LOCATION:Perham's seminar room
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