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The Novartis Lecture
“Short
Stories in Computational Medicinal Chemistry”
Presented by Dr. Lewis
Whitehead, Novartis
The use of in-silico
software tools is widespread in drug-discovery research. In chemistry these
technologies are important in a number of ways, from cheminformatics for
compound management to molecular modeling for ligand optimization strategies.
Here I will discuss the use of computational methods for the prospective use of
medicinal chemists to predict toxicity of commonly used synthons, the
development of new & novel antibiotics and an insight on being aware of the
published literature for unforseen opportunities to potentially influence
global health care.
"Chemistry on the Brain:
Understanding the Nicotine Receptor"
Presented by Prof. Dennis
Dougherty, Caltech
The initial chemical event of
nicotine addiction involves nicotine binding to and activating
acetylcholine (ACh) receptors in the brain. ACh receptors, like most of
the signaling molecules of the brain, are complex, integral membrane
proteins that are resistant to the standard tools of structural biology
and biochemistry. As such, chemistry provides the most powerful tool for
unraveling the structures and functions of the molecules of memory,
thought, and sensory perception; of Alzheimer’s, Parkinson’s, and
schizophrenia. Using the mindset and methodologies of physical organic
chemistry, and combining them with molecular biology, electrophysiology,
and computer modelling, we have probed these complex membrane proteins
with a precision and subtlety normally associated with small molecule
studies. We have discovered key hydrogen bonding interactions that
contribute to binding of small molecules to ACh receptors. Most
significantly, we have established that the cation-π interaction plays a
pivotal role in promoting the high potency of nicotine in the brain,
leading to its addictive properties.
Hosted by Prof. Dalibor Sames
Thursday,
September 9, 2010
(Meet the Speaker ONLY has been CANCELLED)
Tea & cookies still at
3:00pm in The Miller Seminar Room, 328 Havemeyer
Seminars still begin at
3:30pm in The Brian Bent Lecture Hall, Room 209 Havemeyer
**PLEASE NOTE UNUSUAL TIMES**
