title: Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors.
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.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK.
authors.forename: Y H
authors.initials: YH
authors.lastname: Zhao
authors.forename: J
authors.initials: J
authors.lastname: Le
authors.forename: M H
authors.initials: MH
authors.lastname: Abraham
authors.forename: A
authors.initials: A
authors.lastname: Hersey
authors.forename: P J
authors.initials: PJ
authors.lastname: Eddershaw
authors.forename: C N
authors.initials: CN
authors.lastname: Luscombe
authors.forename: D
authors.initials: D
authors.lastname: Butina
authors.forename: G
authors.initials: G
authors.lastname: Beck
authors.forename: B
authors.initials: B
authors.lastname: Sherborne
authors.forename: I
authors.initials: I
authors.lastname: Cooper
authors.forename: J A
authors.initials: JA
authors.lastname: Platts
authors.forename: D
authors.initials: D
authors.lastname: Boutina
mesh_terms: D000284:Administration, Oral; D001682:Biological Availability; D005243:Feces / Q000737:chemistry; D006801:Humans; D007262:Infusions, Intravenous; D007408:Intestinal Absorption; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D010599:Pharmacokinetics; D021281:Quantitative Structure-Activity Relationship; D012995:Solubility; D014556:Urine / Q000737:chemistry
chemical_list: D004364:Pharmaceutical Preparations