PUBLICATION

Chemical informatics and target identification in a zebrafish phenotypic screen

Authors
Laggner, C., Kokel, D., Setola, V., Tolia, A., Lin, H., Irwin, J.J., Keiser, M.J., Cheung, C.Y., Minor, D.L., Roth, B.L., Peterson, R.T., and Shoichet, B.K.
ID
ZDB-PUB-120105-61
Date
2011
Source
Nature Chemical Biology   8(2): 144-146 (Journal)
Registered Authors
Peterson, Randall
Keywords
none
MeSH Terms
  • Animals
  • Behavior, Animal/drug effects
  • Computer Simulation*
  • Dose-Response Relationship, Drug
  • Drug Evaluation, Preclinical/methods*
  • Phenotype
  • Structure-Activity Relationship
  • Zebrafish
PubMed
22179068 Full text @ Nat. Chem. Biol.
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.
Genes / Markers
Figures
Expression
Phenotype
Mutations / Transgenics
Human Disease / Model
Sequence Targeting Reagents
Fish
Antibodies
Orthology
Engineered Foreign Genes
Mapping