Course Catalog

Structure Based Drug Design

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.

Course Details

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.

Information

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.

Students should bring a laptop computer with them to the course.

Who Should Attend

Research scientists who want to improve their knowledge of medicinal chemistry by learning how to use structure-based methods in drug design and drug development while increasing their appreciation of the chemistry of drug action. Participants should have at least a BA/BS degree in chemistry, medicinal chemistry, pharmacy, or biochemistry. A working knowledge of organic chemistry is essential.

Benefits

  • Consult with an instructor–who has extensive experience in the use of computational chemistry in the identification, refinement and design of inhibitors, and medicinal chemistry.
  • Understand why drug-receptor interactions are important to drug efficacy.
  • Learn ways to identify and design specific, more effective enzyme inhibitors and receptor antagonists.
  • Improve your understanding of how computational methods are used in drug discovery process.
  • Learn about cheminformatics and in silico screening and ADME/Tox profiling.
  • View demonstrations of commercial molecular modeling software and have the opportunity to experience hands-on usage of it in this class. (Those attendees wishing to use trial software in-class must supply their own laptop computer running the Windows operating system. Also, a wireless Internet connection would be desirable).

Course Locations

Date

TBA

Check-in opens at 7:30 a.m. on the first day of the course.

Course runs from 8:30 a.m. to 5:00 p.m. each day.

Register Online Register Via Mail

Venue

TBA


Pricing
  Member Non-Member
Advanced $1,495 $1,695
Standard $1,895 $2,095

The course fee includes a course binder and a continental breakfast each day.

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 or mail and mention this discount. May not be combined with any other offer.

About the Instructor

  • Hugo O. Villar, Ph.D.

    , MBA is President of Altoris, Inc. a San Diego based specializing in chemical information management and providing consulting in computer assisted drug design.