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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...
| Autores principales: | , , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
2011
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| Materias: | |
| 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 |
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| author | 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. |
| author_facet | 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. |
| author_sort | Laggner, Christian |
| collection | PubMed |
| description | 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. |
| format | Online Article Text |
| id | pubmed-3262069 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32620692012-08-01 Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen 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. Nat Chem Biol Article 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. 2011-12-18 /pmc/articles/PMC3262069/ /pubmed/22179068 http://dx.doi.org/10.1038/nchembio.732 Text en Users may view, print, copy, download and text and data- mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use: http://www.nature.com/authors/editorial_policies/license.html#terms |
| spellingShingle | Article 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. Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title | Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title_full | Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title_fullStr | Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title_full_unstemmed | Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title_short | Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen |
| title_sort | chemical informatics and target identification in a zebrafish phenotypic screen |
| topic | Article |
| url | 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 |
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