| Autor: |
Allaway, Robert, Gosline, Sara, Nievo, Marco, Rosa, Salvatore La, Bakker, Annette, Guinney, Justin |
| Rok vydání: |
2018 |
| DOI: |
10.6084/m9.figshare.6070859.v1 |
| Popis: |
In the modern drug discovery process, high-throughput screens of drugs are a common and important step in the identification of novel treatments. Frequently, these screens are phenotypic; i.e. they test compounds with known or unknown mechanisms of action in a biological model and evaluate a phenotype. While these types of screens facilitate the identification of active molecules, they also present challenges, including:(1) Identifying the mechanism(s) of action of a compound(2) literature frequently disagrees on drug targets(3) Identifying common targets within screen hits(4) Interpretation of polypharmacologic compounds(5) Identifying structurally/functionally related molecules Multiple tools and databases exist that address these challenges. The majority of these tools allow users to explore drug-target relationships. However, none of the tools fulfill all of the criteria listed in Table 1 of the poster. To address this, we developed the Drug-Target Explorer. This tool enables the user to:(1) look up targets for molecules,(2) explore networks of targets and drugs,(3) perform gene list enrichment of targets(4) compare query molecules to cancer screening datasets(5) discover bioactive molecules using a query targetWe anticipate that the users will include biologists and chemists involved in drug discovery who are interested in performing hypothesis generation of human targets for novel molecules, identifying off-targets for bioactive small molecules of interest, and exploring of the polypharmacologic nature of small molecules. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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