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Inside Cover: Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA‐Encoded Chemical Library (ChemBioChem 9/2017)
Author(s) -
Cuozzo John W.,
Centrella Paolo A.,
Gikunju Diana,
Habeshian Sevan,
Hupp Christopher D.,
Keefe Anthony D.,
Sigel Eric A.,
Soutter Holly H.,
Thomson Heather A.,
Zhang Ying,
Clark Matthew A.
Publication year - 2017
Publication title -
chembiochem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.05
H-Index - 126
eISSN - 1439-7633
pISSN - 1439-4227
DOI - 10.1002/cbic.201700180
Subject(s) - bruton's tyrosine kinase , dna , drug discovery , computational biology , chemistry , intracellular , selection (genetic algorithm) , cover (algebra) , biochemistry , combinatorial chemistry , biology , computer science , receptor , mechanical engineering , tyrosine kinase , artificial intelligence , engineering
The inside cover picture shows the discovery of a potent BTK inhibitor (orange) by affinity‐based selection from a DNA‐encoded library (top). Addition of ATP (beige) to the selection, which simulates the intracellular environment, displaced any low affinity compounds (purple) but could not displace the high affinity inhibitor. As predicted by the selection results, the high affinity BTK inhibitor demonstrated potent cellular activity. More information can be found in the full paper by J. W. Cuozzo et al. on page 864 in Issue 9, 2017 (DOI: 10.1002/cbic.201600573).