Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors

Zhao, Yuan H., Le, Joelle, Abraham, Michael H., Hersey, Anne, Eddershaw, Peter J., Luscombe, Chris N., Boutina, Darko, Beck, Gordon, Sherborne, Brad, Cooper, Ian and Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595 2001. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. Journal of Pharmaceutical Sciences 90 (6) , pp. 749-784. 10.1002/jps.1031

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Abstract

The human intestinal absorption of 241 drugs was evaluated. Three main methods were used to determine the human intestinal absorption: bioavailability, percentage of urinary excretion of drug-related material following oral administration, and the ratio of cumulative urinary excretion of drug-related material following oral and intravenous administration. The general solvation equation developed by Abraham's group was used to model the human intestinal absorption data of 169 drugs we considered to have reliable data. The model contains five Abraham descriptors calculated by the ABSOLV program. The results show that Abraham descriptors can successfully predict human intestinal absorption if the human absorption data is carefully classified based on solubility and administration dose to humans.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Uncontrolled Keywords:	intestinal absorption; QSAR; solvation equation; solubility
Publisher:	WileyBlackwell
ISSN:	0022-3549
Last Modified:	17 Oct 2022 08:55
URI:	https://orca.cardiff.ac.uk/id/eprint/1456

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