Computational models for predicting the interaction with ABC transporters

Author(s)
Marta Pinto, Daniela Digles, Gerhard F Ecker
Abstract

There is strong evidence that ATP-binding cassette (ABC) transporters play a critical role in the pharmacokinetic and pharmacodynamic properties of many drugs and xenobiotics. Due to their pharmacological role, several computational approaches have been developed to understand and predict the interaction between ABC transporters and their ligands. Here, we provide an overview of the current state of the art of the ligand-based models that, derived from the transport and inhibitory activities of a set of ligands, have been published for ABC transporters.

Organisation(s)
Department of Pharmaceutical Chemistry
Journal
Drug Discovery Today: Technologies
Volume
12
Pages
e69-77
DOI
https://doi.org/10.1016/j.ddtec.2014.03.007
Publication date
06-2014
Peer reviewed
Yes
Austrian Fields of Science 2012
Pharmaceutical chemistry
Portal url
https://ucris.univie.ac.at/portal/en/publications/computational-models-for-predicting-the-interaction-with-abc-transporters(6f605f7a-6ff6-4a52-8879-8a8210f61b32).html