Probing the chemical-biological relationship space with the Drug Target Explorer.

ABSTRACT: Modern phenotypic high-throughput screens (HTS) present several challenges including identifying the target(s) that mediate the effect seen in the screen, characterizing 'hits' with a polypharmacologic target profile, and contextualizing screen data within the large space of drugs and screening models. To address these challenges, we developed the Drug-Target Explorer. This tool allows users to query molecules within a database of experimentally-derived and curated compound-target interactions to identify structurally similar molecules and their targets. It enables network-based visualizations of the compound-target interaction space, and incorporates comparisons to publicly-available in vitro HTS datasets. Furthermore, users can identify molecules using a query target or set of targets. T

SUBMITTER: Allaway RJ 

PROVIDER: S-EPMC6102167 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature