MAY 26, 2022

Resolving Absolute Stereochemistry in Early Drug Discovery with VCD


Kimberly Yach
Senior Scientist in Analytical Chemistry at AbbVie


Determining the absolute configuration of small molecules is important early in the drug discovery process. The traditional methodology, X-ray analysis, requires a single crystal. Unfortunately, crystallisation of early-stage molecules can be problematic and time consuming. During this hour-long webinar with guest speaker Kimberly Yach, we’ll explore an alternative.

Vibrational circular dichroism (VCD) can determine absolute stereochemistry of small molecules in solution. In addition, with access to commercial VCD instruments and accompanying software tools, this data can now be acquired in a general analytical lab setting without requiring an expert user or extensive training.

Kimberly will present examples of VCD studies in an R&D analytical support lab, showing you how to get the most out of this technique. She will then explain how VCD fits into the routine pharma workflow and the medicinal chemical laboratory. Finally, we’ll look at examples which highlight observations on sample preparation and the use of quantum chemical software tools.

Key Learning Objectives:

  • How VCD fits into the routine pharma and medicinal chemical workflow
  • How to determine absolute configuration of chiral molecules in solution, without crystallisation
  • How to easily combine computational chemistry with experimental measurements
  • Best practices for VCD, from sample preparation through data collection to stereochemical structure