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SUMMARY:Neurotransduction mechanism via GPCRs: alpha helix\, the smallest 
 spring in nature?” - Sinisa Vukovic ( University of Cambridge)
DTSTART:20141211T120000Z
DTEND:20141211T130000Z
UID:TALK56528@talks.cam.ac.uk
CONTACT:Salvatore Tesoro
DESCRIPTION:A two part presentation demonstrates the use of computational 
 methods in  deciphering reaction mechanisms of protein-ligand interactions
 . The  first part presents an example of a ligand as inhibitor. A statisti
 cal  mechanical framework based on Inhomogeneous Fluid Solvation Theory is
  used to determine underlying mechanism of potency of an inhibitor toward 
 a protein. The second part presents an example of a ligand as agonist. A m
 echanism of nerve signal transduction via GPCRs is proposed. It is based o
 n idea that a neurotransmitter interacts with  not only residues of a prot
 ein but with its helical backbone structure. This interaction triggers a c
 onformational change between 3-10 and 4-13 forms of the helix\, in other w
 ords helix springs. Discussion on fundamentally opposing modes of mechanis
 ms between ligands (inhibitors and agonists)\, as well as between proteins
  (enzymes and receptors\, where one changes the ligand while the other  ch
 anges itself)\, will close the talk.
LOCATION:TCM Seminar room\, 530 Mott building
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