Chemical informatics and target identification in a zebrafish phenotypic screen.
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ABSTRACT:
SUBMITTER: Laggner C
PROVIDER: S-EPMC3262069 | biostudies-literature | 2011 Dec
REPOSITORIES: biostudies-literature
Publications
Chemical informatics and target identification in a zebrafish phenotypic screen.
Laggner Christian C Kokel David D Setola Vincent V Tolia Alexandra A Lin Henry H Irwin John J JJ Keiser Michael J MJ Cheung Chung Yan J CY Minor Daniel L DL Roth Bryan L BL Peterson Randall T RT Shoichet Brian K BK
Nature chemical biology 20111218 2
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. ...[more]
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