A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening.

ABSTRACT: The new paradigm of toxicity testing approaches involves rapid screening of thousands of chemicals across hundreds of biological targets through use of in vitro assays. Such assays may lead to false negatives when the complex metabolic processes that render a chemical bioactive in a living system are unable to be replicated in an in vitro environment. In the current study, a workflow is presented for complementing in vitro testing results with in silico and in vitro techniques to identify inactive parents that may produce active metabolites. A case study applying this workflow involved investigating the influence of metabolism for over 1,400 chemicals considered inactive across18 in vitro assays related to the estrogen receptor (ER) pathway. Over 7

SUBMITTER: Leonard JA 

PROVIDER: S-EPMC6145457 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature