Correlation of drug absorption with molecular surface properties.

  title={Correlation of drug absorption with molecular surface properties.},
  author={Katrin Palm and Kristina Luthman and A L Ungell and Gert Strandlund and Per Artursson},
  journal={Journal of pharmaceutical sciences},
  volume={85 1},
The correlation between dynamic surface properties of drug molecules and drug absorption in two common in vitro models of the intestinal wall (Caco-2 monolayers and rat intestinal segments) has been investigated. A homologous series of beta-adrenoreceptor antagonists were used as model compounds. Dynamic molecular surface properties, considering all low-energy conformations, of the compounds were calculated. The flexibility of the molecules was studied by molecular mechanics calculations (MM2… CONTINUE READING

From This Paper

Topics from this paper.


Publications citing this paper.
Showing 1-10 of 76 extracted citations

Prediction of the in vitro permeability determined in Caco-2 cells by using artificial neural networks.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences • 2010
View 4 Excerpts
Highly Influenced

Similar Papers

Loading similar papers…