| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10591457 | Bioorganic & Medicinal Chemistry Letters | 2013 | 7 Pages |
Abstract
The absolute stereochemistry of chiral drugs is usually established via X-ray crystallography. However, vibrational circular dichroism (VCD) spectroscopy coupled with quantum mechanics simulations offers a rapid alternative to crystallography and is readily applied to both crystalline and non-crystalline samples. VCD is an effective complement to X-ray analysis of drug candidates, and it can be used as a high-throughput means of assessing absolute stereochemistry at all phases of the discovery process (hundreds of assignments per year). The practical implementation (or fee-for-service outsourcing) of VCD and selected case studies are illustrated with an emphasis on providing utility and impact to pharmaceutical discovery programs.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Steven S. Wesolowski, Don E. Pivonka,