A cell-based molecular transport simulator for pharmacokinetic prediction and cheminformatic exploration.

@article{Zhang2006ACM,
  title={A cell-based molecular transport simulator for pharmacokinetic prediction and cheminformatic exploration.},
  author={Xinyuan Zhang and Kerby Shedden and Gustavo R. Rosania},
  journal={Molecular pharmaceutics},
  year={2006},
  volume={3 6},
  pages={704-16}
}
In the body, cell monolayers serve as permeability barriers, determining transport of molecules from one organ or tissue compartment to another. After oral drug administration, for example, transport across the epithelial cell monolayer lining the lumen of the intestine determines the fraction of drug in the gut that is absorbed by the body. By modeling passive transcellular transport properties in the presence of an apical to basolateral concentration gradient, we demonstrate how a… CONTINUE READING