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SUMMARY:Neurotransduction mechanism via GPCRs: alpha helix\, the smallest 
 spring in nature - Sinisa Vukovic\, University of Cambridge
DTSTART:20150306T130000Z
DTEND:20150306T140000Z
UID:TALK57471@talks.cam.ac.uk
CONTACT:Lucy Colwell
DESCRIPTION:A two part presentation demonstrates the use of computational 
 methods in deciphering reaction mechanisms of protein-ligand interactions\
 , i.e. mechanisms of inhibition and stimulation. The first part presents a
 n example of a ligand as inhibitor. A statistical mechanical framework bas
 ed on Inhomogeneous Fluid Solvation Theory is used to determine underlying
  mechanism of potency of an inhibitor toward a protein. Since all drugs ac
 ting on proteins are inhibitors the example shows a method to asses protei
 n's druggability. The second part presents an example of a ligand as agoni
 st. A mechanism of nerve signal transduction via GPC Rs is proposed. It is
  based on idea that a neurotransmitter interacts with not only residues of
  a protein but with its helical backbone structure. This interaction trigg
 ers a conformational change between 3-10 and 4-13 forms of the helix\, in 
 other words helix springs. At the end we can discussion about fundamentall
 y opposing modes of mechanisms between ligands (inhibitors and agonists)\,
  as well as between proteins (enzymes and receptors\, where enzymes change
  the ligand while receptors change itself).
LOCATION:Todd Hamied Room\, Dept. of Chemistry
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