Rapid elaboration of fragments into leads by X-ray crystallographic screening of parallel chemical libraries (REFiL x ).
JOURNAL OF MEDICINAL CHEMISTRY(2020)
Abstract
A bottleneck in fragment-based lead development is the lack of systematic approaches to elaborate the initial fragment hits, which usually bind with low affinity to their target. Herein, we describe an analysis using X-ray crystallography of a diverse library of compounds prepared using microscale parallel synthesis. This approach yielded an 8-fold increase in affinity and detailed structural information for the resulting complex, providing an efficient and broadly applicable approach to early fragment development.
MoreTranslated text
Key words
parallel chemical libraries,fragments,x-ray
AI Read Science
Must-Reading Tree
Example
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined