Ontology highlight
ABSTRACT:
SUBMITTER: Nembri S
PROVIDER: S-EPMC4926447 | biostudies-other | 2016 Jun
REPOSITORIES: biostudies-other
Nembri Serena S Grisoni Francesca F Consonni Viviana V Todeschini Roberto R
International journal of molecular sciences 20160609 6
Cytochromes P450 (CYP) are the main actors in the oxidation of xenobiotics and play a crucial role in drug safety, persistence, bioactivation, and drug-drug/food-drug interaction. This work aims to develop Quantitative Structure-Activity Relationship (QSAR) models to predict the drug interaction with two of the most important CYP isoforms, namely 2C9 and 3A4. The presented models are calibrated on 9122 drug-like compounds, using three different modelling approaches and two types of molecular des ...[more]