Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat
Journal of Medicinal Chemistry2004Vol. 47(24), pp. 6104–6107
Citations Over TimeTop 10% of 2004 papers
Jing Lü, Kimberly Crimin, Jay T. Goodwin, Patrizia Crivori, Christian Orrenius, Xing Li, Peter J. Tandler, Thomas J. Vidmar, Benny Amore, Alan Wilson, Pieter F. W. Stouten, Philip S. Burton
Abstract
The relationship of rotatable bond count (N(rot)) and polar surface area (PSA) with oral bioavailability in rats was examined for 434 Pharmacia compounds and compared with an earlier report from Veber et al. (J. Med. Chem. 2002, 45, 2615). N(rot) and PSA were calculated with QikProp or Cerius2. The resulting correlations depended on the calculation method and the therapeutic class within the data superset. These results underscore that such generalizations must be used with caution.
Related Papers
- → Effect of retinol on iron bioavailability from Iranian bread in a Caco-2 cell culture model(2006)20 cited
- → Dissolution Systems for Chloramphenicol Tablet Bioavailability(1979)15 cited
- → Study of the bioavailability of different formulations of 8‐methoxypsoralen in the dog(1988)4 cited
- → Prediction of Bioavailability(2003)2 cited
- → Biopharmaceutical studies on hydantoin derivatives. IV. Factors affecting bioavailability of 5,5-diphenylhydantoin in dog.(1984)1 cited