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Rate-limited steps of human oral absorption and QSAR studies

To classify the dissolution and diffusion rate-limited drugs and establish quantitative relationships between absorption and molecular descriptors. Absorption consists of kinetic transit processes in which dissolution, diffusion, or perfusion processes can become the rate-limited step. The absorptio... Full description

Journal Title: Pharmaceutical research 2002, Vol.19 (10), p.1446-1457
Main Author: ZHAO, Yuan H
Other Authors: ABRAHAM, Michael H , LE, Joelle , HERSEY, Anne , LUSCOMBE, Chris N , BECK, Gordon , SHERBORNE, Brad , COOPER, Ian
Format: Electronic Article Electronic Article
Language: English
Subjects:
Publisher: New York, NY: Springer
ID: ISSN: 0724-8741
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recordid: cdi_pubmed_primary_12425461
title: Rate-limited steps of human oral absorption and QSAR studies
format: Article
creator:
  • ZHAO, Yuan H
  • ABRAHAM, Michael H
  • LE, Joelle
  • HERSEY, Anne
  • LUSCOMBE, Chris N
  • BECK, Gordon
  • SHERBORNE, Brad
  • COOPER, Ian
subjects:
  • Administration, Oral
  • Biological and medical sciences
  • General pharmacology
  • Humans
  • Intestinal Absorption - physiology
  • Medical sciences
  • Pharmaceutical Preparations - metabolism
  • Pharmacokinetics. Pharmacogenetics. Drug-receptor interactions
  • Pharmacology. Drug treatments
  • Quantitative Structure-Activity Relationship
  • Regression Analysis
ispartof: Pharmaceutical research, 2002, Vol.19 (10), p.1446-1457
description: To classify the dissolution and diffusion rate-limited drugs and establish quantitative relationships between absorption and molecular descriptors. Absorption consists of kinetic transit processes in which dissolution, diffusion, or perfusion processes can become the rate-limited step. The absorption data of 238 drugs have been classified into either dissolution or diffusion rate-limited based on an equilibrium method developed from solubility, dose, and percentage of absorption. A nonlinear absorption model derived from first-order kinetics has been developed to identify the relationship between percentage of drug absorption and molecular descriptors. Regression analysis was performed between percentage of absorption and molecular descriptors. The descriptors used were ClogP, molecular polar surface area, the number of hydrogen-bonding acceptors and donors, and Abraham descriptors. Good relationships were found between absorption and Abraham descriptors or ClogP. The absorption models can predict the following three BCS (Biopharmaceutics Classification Scheme) classes of compounds: class I, high solubility and high permeability; class III, high solubility and low permeability; class IV, low solubility and low permeability. The absorption models overpredict the absorption of class II, low solubility and high permeability compounds because dissolution is the rate-limited step of absorption.
language: eng
source:
identifier: ISSN: 0724-8741
fulltext: no_fulltext
issn:
  • 0724-8741
  • 1573-904X
url: Link


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creatorZHAO, Yuan H ; ABRAHAM, Michael H ; LE, Joelle ; HERSEY, Anne ; LUSCOMBE, Chris N ; BECK, Gordon ; SHERBORNE, Brad ; COOPER, Ian
creatorcontribZHAO, Yuan H ; ABRAHAM, Michael H ; LE, Joelle ; HERSEY, Anne ; LUSCOMBE, Chris N ; BECK, Gordon ; SHERBORNE, Brad ; COOPER, Ian
descriptionTo classify the dissolution and diffusion rate-limited drugs and establish quantitative relationships between absorption and molecular descriptors. Absorption consists of kinetic transit processes in which dissolution, diffusion, or perfusion processes can become the rate-limited step. The absorption data of 238 drugs have been classified into either dissolution or diffusion rate-limited based on an equilibrium method developed from solubility, dose, and percentage of absorption. A nonlinear absorption model derived from first-order kinetics has been developed to identify the relationship between percentage of drug absorption and molecular descriptors. Regression analysis was performed between percentage of absorption and molecular descriptors. The descriptors used were ClogP, molecular polar surface area, the number of hydrogen-bonding acceptors and donors, and Abraham descriptors. Good relationships were found between absorption and Abraham descriptors or ClogP. The absorption models can predict the following three BCS (Biopharmaceutics Classification Scheme) classes of compounds: class I, high solubility and high permeability; class III, high solubility and low permeability; class IV, low solubility and low permeability. The absorption models overpredict the absorption of class II, low solubility and high permeability compounds because dissolution is the rate-limited step of absorption.
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subjectAdministration, Oral ; Biological and medical sciences ; General pharmacology ; Humans ; Intestinal Absorption - physiology ; Medical sciences ; Pharmaceutical Preparations - metabolism ; Pharmacokinetics. Pharmacogenetics. Drug-receptor interactions ; Pharmacology. Drug treatments ; Quantitative Structure-Activity Relationship ; Regression Analysis
ispartofPharmaceutical research, 2002, Vol.19 (10), p.1446-1457
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descriptionTo classify the dissolution and diffusion rate-limited drugs and establish quantitative relationships between absorption and molecular descriptors. Absorption consists of kinetic transit processes in which dissolution, diffusion, or perfusion processes can become the rate-limited step. The absorption data of 238 drugs have been classified into either dissolution or diffusion rate-limited based on an equilibrium method developed from solubility, dose, and percentage of absorption. A nonlinear absorption model derived from first-order kinetics has been developed to identify the relationship between percentage of drug absorption and molecular descriptors. Regression analysis was performed between percentage of absorption and molecular descriptors. The descriptors used were ClogP, molecular polar surface area, the number of hydrogen-bonding acceptors and donors, and Abraham descriptors. Good relationships were found between absorption and Abraham descriptors or ClogP. The absorption models can predict the following three BCS (Biopharmaceutics Classification Scheme) classes of compounds: class I, high solubility and high permeability; class III, high solubility and low permeability; class IV, low solubility and low permeability. The absorption models overpredict the absorption of class II, low solubility and high permeability compounds because dissolution is the rate-limited step of absorption.
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abstractTo classify the dissolution and diffusion rate-limited drugs and establish quantitative relationships between absorption and molecular descriptors. Absorption consists of kinetic transit processes in which dissolution, diffusion, or perfusion processes can become the rate-limited step. The absorption data of 238 drugs have been classified into either dissolution or diffusion rate-limited based on an equilibrium method developed from solubility, dose, and percentage of absorption. A nonlinear absorption model derived from first-order kinetics has been developed to identify the relationship between percentage of drug absorption and molecular descriptors. Regression analysis was performed between percentage of absorption and molecular descriptors. The descriptors used were ClogP, molecular polar surface area, the number of hydrogen-bonding acceptors and donors, and Abraham descriptors. Good relationships were found between absorption and Abraham descriptors or ClogP. The absorption models can predict the following three BCS (Biopharmaceutics Classification Scheme) classes of compounds: class I, high solubility and high permeability; class III, high solubility and low permeability; class IV, low solubility and low permeability. The absorption models overpredict the absorption of class II, low solubility and high permeability compounds because dissolution is the rate-limited step of absorption.
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