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Introduction to Photostability
A Practical Introduction to
Document Actions
Structure Based Drug Design
| Type | Course |
|---|---|
| Language | English |
| Date |
August 15, 2009
to August 16, 2009 |
| Venue |
Four Points By Sheraton 1201 K Street NW Washington, DC 20005 US |
| Chemistry Specialties |
|
| Chemistry Techniques |
|
| Contact |
American Chemical Society 1155 Sixteenth Street, NW Washington, DC 20036 US (800) 227-5558 shortcourses@acs.org |
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Learn how to use computational chemistry in medicinal chemistry, specifically to identify, refine, and design inhibitors. Topics covered include: how computational methods are used in the drug discovery process; why drug-receptor interactions are important to drug efficacy; how to identify and design specific, more effective enzyme inhibitors and receptor antagonists; cheminformatics; in silico screening; and ADME/Tox profiling.
Key Topics
* Drug Discovery, Design, and Development - drug discovery without a lead; lead discovery.
* Lead Discovery – database searching strategies; pharmacophore searching; fast docking.
* Lead Refinement – approaches for target-based and ligand-based refinement; docking and pharmacophore mapping; quantitative structure-activity relationships; molecular graphics-based drug design; examples of functional group modifications and structure modifications to increase potency and therapeutic index.
* Cheminformatics - how informatics is used to analyze compound activities and take the next step; similarity and diversity; approaches to rapidly search a corporate database for new leads.
* ADME/Tox Predictions – what makes a good drug; profiling properties of a molecule correlate with sorption, BBB, hERG, and metabolism.
Speakers
Dr. Frank Axe has over 20 years experience as a computational chemist and drug discovery scientist in the biotech and pharmaceutical industries. In the past, he held positions at Accelrys, Ontogen, and Johnson & Johnson. Dr. Axe is currently a faculty member at the University of the Pacific and San Joaquin Delta College, both located in Northern California.