AI Article Synopsis
- Microcrystal electron diffraction (microED) is a new technique for quickly analyzing small molecule crystals, particularly useful in pharmaceuticals.
- In a study involving 30 samples from Amgen Inc., researchers successfully determined the structures of 15 crystals using just 40 hours of microscope time.
- All chiral compounds analyzed had their absolute stereochemistry correctly assigned through dynamic refinement, showcasing the effectiveness of dynamic refinement in determining stereochemistry for pharmaceutical compounds.
Article Abstract
Microcrystal electron diffraction (microED) is an emerging technique for rapid crystallographic analysis of small molecule micro- and nanocrystals. In this report, we evaluate the applicability of microED to pharmaceutical compounds through the analysis of 30 samples obtained from the process and medicinal chemistry groups at Amgen Inc. Using only 40 h of microscope time, 15 of 30 crystal structures were elucidated. From these crystal structures, all chiral compounds had the correct absolute stereochemistry assigned by dynamical refinement of continuous rotation electron diffraction data, confirming dynamical refinement as a promising tool for the absolute stereochemistry determination of pharmaceutically relevant compounds.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11348424 | PMC |
| http://dx.doi.org/10.1021/acs.orglett.4c01865 | DOI Listing |
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