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SUMMARY:Computer-Aided Rational Drug Design for Alzheimer’s Disease - Pr
 ofessor Donald F. Weaver\, University of Toronto
DTSTART:20160304T120000Z
DTEND:20160304T125000Z
UID:TALK64434@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Alzheimer’s disease is a fundamental disorder of information
  processing\, manifesting as a chronic progressive disease affecting human
  memory\, learning and cognition. It is a devastating disease for which no
  disease modifying therapeutics are available. Based upon a comprehensive 
 series of molecular mechanics\, molecular dynamics\, semi-empirical and de
 nsity functional theory calculations\, we have modelled the interaction of
  beta-amyloid peptide with representative neuronal membranes.  These simul
 ations demonstrate an electrostatic anchoring of the N-terminal portion of
  the beta-amyloid peptide to glycosaminoglycan membrane components\; the C
 -terminus of the peptide then destructively inserts into the neuronal memb
 rane in a process facilitated by cholesterol rafts.  Using these simulatio
 n models\, we have used computer-aided drug design methods to rationally d
 esign two families of bi-aromatic compounds capable of interfering with th
 e amyloid-membrane interaction.  These small molecule compounds have been 
 further optimized using quantitative structure-activity relationship calcu
 lations.   \n
LOCATION:Unilever Lecture Theatre\, Department of Chemistry
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