Literature DB >> 12458665

The use of in vitro metabolic stability for rapid selection of compounds in early discovery based on their expected hepatic extraction ratios.

Yan Yi Lau1, Gopal Krishna, Nathan P Yumibe, Diane E Grotz, Elpida Sapidou, Laura Norton, Inhou Chu, Cliff Chen, A D Soares, Chin-Chung Lin.   

Abstract

PURPOSE: The in vivo hepatic extraction ratio of cynomolgus monkeys was correlated with the corresponding in vitro extraction ratios that were determined in monkey microsomal incubations.
METHOD: For compounds that are eliminated mainly through liver phase I metabolism, the extraction ratio calculated from liver microsomal stability studies should correlate with their in vivo hepatic extraction ratios and also with their oral bioavailability in monkey. We used both well-stirred and parallel tube models of intrinsic clearance for the correlation. We also calculated extraction ratios for compounds within a given therapeutic area from fraction absorbed values that were estimated from the Caco-2 absorption model. RESULT: The present data show that in vitro extraction ratios in monkey microsomes are predictive of the in vivo hepatic extraction ratios in monkeys. All compounds with high extraction ratio (>70%) in vivo were successfully classified as high-extraction-ratio compounds based on the in vitro monkey microsomal stability data. From the results of this study, it appears that the parallel tube model provided a slightly better classification than the well-stirred model. CONCULUSIONS: The present method appears to be a valuable tool to rapidly screen and prioritize compounds with respect to liver first-pass metabolism in monkeys at an early phase of drug discovery.

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Year:  2002        PMID: 12458665     DOI: 10.1023/a:1020765025857

Source DB:  PubMed          Journal:  Pharm Res        ISSN: 0724-8741            Impact factor:   4.200


  15 in total

1.  Prediction of human clearance of twenty-nine drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half-life approach and nonspecific binding to microsomes.

Authors:  R S Obach
Journal:  Drug Metab Dispos       Date:  1999-11       Impact factor: 3.922

Review 2.  Prediction of hepatic metabolic clearance based on interspecies allometric scaling techniques and in vitro-in vivo correlations.

Authors:  T Lavé; P Coassolo; B Reigner
Journal:  Clin Pharmacokinet       Date:  1999-03       Impact factor: 6.447

Review 3.  Drug-protein binding sites. New trends in analytical and experimental methodology.

Authors:  J Oravcová; B Böhs; W Lindner
Journal:  J Chromatogr B Biomed Appl       Date:  1996-02-23

Review 4.  Quantitative prediction of in vivo drug clearance and drug interactions from in vitro data on metabolism, together with binding and transport.

Authors:  K Ito; T Iwatsubo; S Kanamitsu; Y Nakajima; Y Sugiyama
Journal:  Annu Rev Pharmacol Toxicol       Date:  1998       Impact factor: 13.820

5.  Permeability of lipophilic compounds in drug discovery using in-vitro human absorption model, Caco-2.

Authors:  G Krishna; K Chen; C Lin; A A Nomeir
Journal:  Int J Pharm       Date:  2001-07-03       Impact factor: 5.875

6.  Comparison of the permeability characteristics of a human colonic epithelial (Caco-2) cell line to colon of rabbit, monkey, and dog intestine and human drug absorption.

Authors:  W Rubas; N Jezyk; G M Grass
Journal:  Pharm Res       Date:  1993-01       Impact factor: 4.200

Review 7.  Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance.

Authors:  J B Houston
Journal:  Biochem Pharmacol       Date:  1994-04-29       Impact factor: 5.858

8.  Prediction of hepatic extraction ratio from in vitro measurement of intrinsic clearance.

Authors:  A Rane; G R Wilkinson; D G Shand
Journal:  J Pharmacol Exp Ther       Date:  1977-02       Impact factor: 4.030

9.  The use of human hepatocytes to select compounds based on their expected hepatic extraction ratios in humans.

Authors:  T Lavé; S Dupin; C Schmitt; B Valles; G Ubeaud; R C Chou; D Jaeck; P Coassolo
Journal:  Pharm Res       Date:  1997-02       Impact factor: 4.200

10.  The prediction of human pharmacokinetic parameters from preclinical and in vitro metabolism data.

Authors:  R S Obach; J G Baxter; T E Liston; B M Silber; B C Jones; F MacIntyre; D J Rance; P Wastall
Journal:  J Pharmacol Exp Ther       Date:  1997-10       Impact factor: 4.030

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Journal:  Antimicrob Agents Chemother       Date:  2011-07-05       Impact factor: 5.191

4.  Metabolically Stable tert-Butyl Replacement.

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Journal:  ACS Med Chem Lett       Date:  2013-04-22       Impact factor: 4.345

5.  Discovery of Orally Active and Nonsteroidal Farnesoid X Receptor (FXR) Antagonist with Propensity for Accumulation and Responsiveness in Ileum.

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Journal:  ACS Med Chem Lett       Date:  2021-02-24       Impact factor: 4.345

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