Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen

Target identification is a core challenge in chemical genetics. Here we use chemical similarity to predict computationally the targets of 586 compounds active in a zebrafish behavioral assay. Of 20 predictions tested, 11 had activities ranging from 1 to 10,000nM on the predicted targets. The role of...

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Detalles Bibliográficos
Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2011
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3262069/
https://www.ncbi.nlm.nih.gov/pubmed/22179068
http://dx.doi.org/10.1038/nchembio.732
Descripción
Sumario:Target identification is a core challenge in chemical genetics. Here we use chemical similarity to predict computationally the targets of 586 compounds active in a zebrafish behavioral assay. Of 20 predictions tested, 11 had activities ranging from 1 to 10,000nM on the predicted targets. The role of two of these targets was tested in the original zebrafish phenotype. Prediction of targets from chemotype is rapid and may be generally applicable.

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