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A simple method for determining compound affinity and chemical yield from DNA-encoded library selections

Biochem Biophys Res Commun. 2020-05-01; 
Justin Hall, Timothy L Foley, Qiuxia Chen, David I Israel, Yanshan Xu, Kristin K Ford, Ping Xie, Jing Fan, Jinqiao Wan
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ORF cDNA Clones/MolecularCloud … BRD4 selections against varying protein concentrations were performed manually using MagBeads (Genscript) in 1.5 mL Eppendorf tubes; beads were separated from solution using a Dynamag 2 magnetic separator (Thermofisher) … Get A Quote

摘要

DNA-encoded libraries (DELs) can contain billions of unique chemical species; selecting against such large inputs, it is typical to find more candidate binders than is reasonable to pursue for follow-up synthesis and testing. Given this wealth of choices, common practice is to limit synthesis to only those compounds estimated to have the greatest chance of being high-affinity binders; of the many potential factors contributing to this estimation, the strength of the selection signal of a candidate binder is always important. We define here methods and equations which relate the theoretical selection signal of a compound to its affinity and chemical yield. Tests using known binders of BRD4 and ROCK2 support the ... More

关键词

DEL, DNA-Encoded libraries, Drug discovery, Hit identification, Lead discovery
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