Predicting gastrointestinal drug effects using contextualized metabolic models.

ABSTRACT: Gastrointestinal side effects are among the most common classes of adverse reactions associated with orally absorbed drugs. These effects decrease patient compliance with the treatment and induce undesirable physiological effects. The prediction of drug action on the gut wall based on in vitro data solely can improve the safety of marketed drugs and first-in-human trials of new chemical entities. We used publicly available data of drug-induced gene expression changes to build drug-specific small intestine epithelial cell metabolic models. The combination of measured in vitro gene expression and in silico predicted metabolic rates in the gut wall was used as features for a multilabel support vector machine to predict the occurrence of side effects. We showed that combining local gut wall-sp

SUBMITTER: Ben Guebila M 

PROVIDER: S-EPMC6594586 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature