Dataset Information
How polypharmacologic is each chemogenomics library?
Ontology highlight
ABSTRACT: Aim
High-throughput phenotypic screens have emerged as a promising avenue for small-molecule drug discovery. The challenge faced in high-throughput phenotypic screens is target deconvolution once a small molecule hit is identified. Chemogenomics libraries have emerged as an important tool for meeting this challenge. Here, we investigate their target-specificity by deriving a 'polypharmacology index' for broad chemogenomics screening libraries.Methods
All known targets of all the compounds in each library were plotted as a histogram and fitted to a Boltzmann distribution, whose linearized slope is indicative of the overall polypharmacology of the library.Results & conclusion
Comparison of libraries clearly distinguished the most target-specific library, which might be assumed to be more useful for target deconvolution in a phenotypic screen.
SUBMITTER: Ni E
PROVIDER: S-EPMC7052528 | biostudies-literature | 2020 Feb
REPOSITORIES: biostudies-literature
Publications
How polypharmacologic is each chemogenomics library?
Future drug discovery 20200205 1
<h4>Aim</h4>High-throughput phenotypic screens have emerged as a promising avenue for small-molecule drug discovery. The challenge faced in high-throughput phenotypic screens is target deconvolution once a small molecule hit is identified. Chemogenomics libraries have emerged as an important tool for meeting this challenge. Here, we investigate their target-specificity by deriving a 'polypharmacology index' for broad chemogenomics screening libraries.<h4>Methods</h4>All known targets of all the ...[more]