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)
- Journal
- Drug Discovery Today: Technologies
- Volume
- 12
- Pages
- e69-e77
- DOI
- https://doi.org/10.1016/j.ddtec.2014.03.007
- Publication date
- 06-2014
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 301207 Pharmaceutical chemistry
- ASJC Scopus subject areas
- Drug Discovery, Molecular Medicine
- 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