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- Title
Chemical informatics and target identification in a zebrafish phenotypic screen.
- Authors
Laggner, Christian; Kokel, David; Setola, Vincent; Tolia, Alexandra; Lin, Henry; Irwin, John J; Keiser, Michael J; Cheung, Chung Yan J; Minor, Daniel L; Roth, Bryan L; Peterson, Randall T; Shoichet, Brian K
- Abstract
Target identification is a core challenge in chemical genetics. Here we use chemical similarity to computationally predict the targets of 586 compounds that were active in a zebrafish behavioral assay. Among 20 predictions tested, 11 compounds had activities ranging from 1 nM to 10,000 nM on the predicted targets. The roles of two of these targets were tested in the original zebrafish phenotype. Prediction of targets from chemotype is rapid and may be generally applicable.
- Subjects
CHEMINFORMATICS; ZEBRA danio; PHENOTYPES; BIOCHEMICAL genetics; ECOLOGICAL disturbances; CELL lines; G protein-coupled receptor kinases
- Publication
Nature Chemical Biology, 2012, Vol 8, Issue 2, p144
- ISSN
1552-4450
- Publication type
Article
- DOI
10.1038/nchembio.732