Computational approaches to modeling drug transporters

C Chang, PW Swaan - European Journal of Pharmaceutical Sciences, 2006 - Elsevier
Computational modeling has advanced our understanding of drug absorption, tissue
distribution, excretion and toxicity profiles by providing both direct and indirect knowledge of …

Computational modeling to accelerate the identification of substrates and inhibitors for transporters that affect drug disposition

S Ekins, JE Polli, PW Swaan… - Clinical Pharmacology & …, 2012 - Wiley Online Library
We have seen an increased use of computational approaches to predicting drug interactions
with human transporters that affect drug disposition and may lead to toxicity. These …

Computational modeling to predict the functions and impact of drug transporters

P Matsson, CAS Bergström - In silico pharmacology, 2015 - Springer
Transport proteins are important mediators of cellular drug influx and efflux and play crucial
roles in drug distribution, disposition and clearance. Drug-drug interactions have …

Targeting drug transporters–combining in silico and in vitro approaches to predict in vivo

PM Bahadduri, JE Polli, PW Swaan, S Ekins - Membrane Transporters in …, 2010 - Springer
Transporter proteins are expressed throughout the human body in different vital organs.
They play an important role to various extents in determining absorption, distribution …

Molecular properties associated with transporter-mediated drug disposition

MV Varma, Y Lai, AF El-Kattan - Advanced Drug Delivery Reviews, 2017 - Elsevier
Membrane transporters play a key role in the absorption, distribution, clearance, elimination,
and transport of drugs. Understanding the drug properties and structure activity relationships …

Physiologically based pharmacokinetic modeling of drug transporters to facilitate individualized dose prediction

A Galetin, P Zhao, SM Huang - Journal of Pharmaceutical Sciences, 2017 - Elsevier
Physiologically based pharmacokinetic modeling is a commonly used strategy in the drug
development and regulatory submissions. This commentary provides a critical overview of …

Physiologically-based pharmacokinetic (PBPK) modelling of transporter mediated drug absorption, clearance and drug-drug interactions

KS Taskar, I Harada, RV Alluri - Current Drug Metabolism, 2021 - ingentaconnect.com
Membrane transporters play an important role in intestinal absorption, distribution and
clearance of drugs. Additionally transporters along with enzymes regulate tissue exposures …

The application of physiologically based pharmacokinetic modeling to predict the role of drug transporters: scientific and regulatory perspectives

Y Pan, V Hsu, M Grimstein, L Zhang… - The Journal of …, 2016 - Wiley Online Library
Transporters play an important role in drug absorption, disposition, and drug action. The
evaluation of drug transporters requires a comprehensive understanding of transporter …

The international transporter consortium: summarizing advances in the role of transporters in drug development

KM Giacomini, A Galetin… - Clinical …, 2018 - research.manchester.ac.uk
The past few years have ushered in a wealth of new information on transporter biology,
ranging from the publication of new crystal structures of the human glucose transporters …

Future directions for drug transporter modelling

S Ekins, GF Ecker, P Chiba, PW Swaan - Xenobiotica, 2007 - Taylor & Francis
Since the late 1980s computational methods such as quantitative structure–activity
relationship (QSAR) and pharmacophore approaches have become more widely applied to …