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Structure Based Drug Design

Type Course
Language English
Date April 6, 2008 to
April 7, 2008
Venue Westin New Orleans Canal Place
100 Rue Iberville
New Orleans, LA 70130
US
Chemistry Specialties
  • other
Chemistry Techniques
  • other
Contact
ACS
1155 Sixteenth Street, NW
Washington, DC , 20036
US
1-800-227-5558 ext. 4508
202-872-6336
service@acs.org
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by Lilach Zuriel last modified 02-13-08 06:22 AM

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.

Cost

Member - $1095 Academic Member - $547.50 Note: This discount is only available if you register by fax, mail or phone and mention this discount and may not be combined with any other offer. Nonmember - $1245 Early Registration - Register before March 3, 2008 for the ACS Spring National Meeting Short Courses and receive $100 off the standard member/nonmember fees. Late Registration - Registrations after March 31, 2008 for the ACS Spring National Meeting Short Courses will be assessed a $100 administrative fee. Group Rate - Five for Four! Register five people for one course, one person for five courses, or any combination in between and your fifth registration is free. Note: This discount is only available if you register by fax, mail or phone and mention this discount and may not be combined with any other offer.

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