Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection

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.

1999 • 1,154 citations

Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance

1994 • 865 citations

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

2005 • 758 citations

Predicting the impact of physiological and biochemical processes on oral drug bioavailability

2001 • 615 citations

Prediction of Pharmacokinetics Prior to In Vivo Studies. 1. Mechanism‐Based Prediction of Volume of Distribution

2002 • 527 citations

Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data

1997 • 460 citations

A compartmental absorption and transit model for estimating oral drug absorption

1999 • 428 citations

A Priori Prediction of Tissue:Plasma Partition Coefficients of Drugs to Facilitate the Use of Physiologically‐Based Pharmacokinetic Models in Drug Discovery

2000 • 399 citations

In vitro-in vivo scaling of CYP kinetic data not consistent with the classical Michaelis-Menten model.

2000 • 388 citations

Cooperativity in Oxidations Catalyzed by Cytochrome P450 3A4

1997 • 380 citations

Clearance approaches in pharmacology.

1987 • 347 citations

Prediction of Hepatic Clearance from Microsomes, Hepatocytes, and Liver Slices

1997 • 298 citations

Prediction of Pharmacokinetics Prior to In Vivo Studies. II. Generic Physiologically Based Pharmacokinetic Models of Drug Disposition

2002 • 282 citations

An in vitro model for predicting in vivo inhibition of cytochrome P450 3A4 by metabolic intermediate complex formation.

2000 • 280 citations

QUANTITATIVE PREDICTION OF IN VIVO DRUG CLEARANCE AND DRUG INTERACTIONS FROM IN VITRO DATA ON METABOLISM, TOGETHER WITH BINDING AND TRANSPORT

1998 • 280 citations

Formation of extensive canalicular networks by rat hepatocytes cultured in collagen-sandwich configuration

1994 • 260 citations

Correlation of biliary excretion in sandwich-cultured rat hepatocytes and in vivo in rats.

1999 • 223 citations

Prediction of adipose tissue: Plasma partition coefficients for structurally unrelated drugs

2001 • 206 citations

Prediction of intestinal absorption: comparative assessment of gastroplus™ and idea™

2002 • 162 citations

Physiologically-based pharmacokinetic simulation modelling

2002 • 160 citations

Prediction of Hepatic Metabolic Clearance Based on Interspecies Allometric Scaling Techniques and In Vitro-In Vivo Correlations

1999 • 157 citations

Substrate inhibition kinetics for cytochrome P450-catalyzed reactions.

2001 • 153 citations

In vitro andin vivo evaluation of the tissue-to-blood partition coefficient for physiological pharmacokinetic models

1982 • 147 citations

Biological determinants of propranolol disposition in man

1978 • 143 citations

Physiologically based pharmacokinetic study on a cyclosporin derivative, SDZ IMM 125

1994 • 143 citations

PREDICTION OF IN VIVO DRUG DISPOSITION FROM IN VITRO DATA BASED ON PHYSIOLOGICAL PHARMACOKINETICS

1996 • 136 citations

Relative lipid content as the sole mechanistic determinant of the adipose tissue:blood partition coefficients of highly lipophilic organic chemicals

2000 • 119 citations

Enzyme Kinetics of Cytochrome P450-Mediated Reactions

2005 • 118 citations

Prediction of the volumes of distribution of basic drugs in humans based on data from animals

1984 • 114 citations

Development of predictive pharmacokinetic simulation models for drug discovery

2000 • 112 citations

A Tissue Composition-Based Algorithm for Predicting Tissue:Air Partition Coefficients of Organic Chemicals

1996 • 108 citations

Prediction of diazepam disposition in the rat and man by a physiologically based pharmacokinetic model

1983 • 106 citations

In Vitro Human Tissue Models in Risk Assessment: Report of a Consensus-Building Workshop

2001 • 98 citations

Prediction of Hepatic Metabolic Clearance

2001 • 91 citations

Empirical Relations Predicting Human and Rat Tissue:Air Partition Coefficients of Volatile Organic Compounds

2000 • 89 citations

A new physiologically based, segregated-flow model to explain route-dependent intestinal metabolism.

2000 • 88 citations

Quantitative structure-pharmacokinetics relationships: I. Development of a whole-body physiologically based model to characterize changes in pharmacokinetics across a homologous series of barbiturates in the rat.

1997 • 83 citations

Molecular Structure-Based Prediction of the Partition Coefficients of Organic Chemicals for Physiological Pharmacokinetic Models

1996 • 81 citations

A convenient in vitro screening method for predicting in vivo drug metabolic clearance using isolated hepatocytes suspended in serum.

2000 • 76 citations

Sigmoidal kinetics of CYP3A substrates: an approach for scaling dextromethorphan metabolism in hepatic microsomes and isolated hepatocytes to predict in vivo clearance in rat.

1999 • 76 citations

Physiologically based pharmacokinetic modeling as a tool for drug development

1995 • 71 citations

Relationships in the structure-tissue distribution of basic drugs in the rabbit.

1990 • 69 citations

Correlation of tissue, blood, and air partition coefficients of volatile organic chemicals.

1989 • 59 citations

The application of physiologically based pharmacokinetic modeling in human health risk assessment of hazardous substances

1995 • 56 citations

COMPARISON OF MODELS FOR THE ESTIMATION OF BIOLOGICAL PARTITION COEFFICIENTS

2002 • 55 citations

Physiologically Based Pharmacokinetic Modeling of Glycyrrhizic Acid, a Compound Subject to Presystemic Metabolism and Enterohepatic Cycling

2000 • 54 citations

Rapid determination of oral pharmacokinetics and plasma free fraction using cocktail approaches: methods and application.

1998 • 52 citations

EFFECT OF TURPENTINE‐INDUCED INFLAMMATION ON THE DISPOSITION KINETICS OF PROPRANOLOL, METOPROLOL, AND ANTIPYRINE IN THE RAT

1989 • 46 citations

Differential stability of drug-metabolizing enzyme activities in primary rat hepatocytes, cultured in the absence or presence of dexamethasone

1991 • 46 citations

Prediction of Drug Distribution in Distribution Dialysis and In Vivo from Binding to Tissues and Blood

1993 • 44 citations

Cytochrome P450 activities in pure and co-cultured rat hepatocytes. Effects of model inducers

1994 • 43 citations

Impact of Mechanism‐Based Enzyme Inactivation on Inhibitor Potency: Implications for Rational Drug Discovery

2000 • 41 citations

A Model-based Dependence of the Human Tissue/Blood Partition Coefficients of Chemicals on Lipophilicity and Tissue Composition

1999 • 39 citations

Quantitative structure-pharmacokinetics relationships: II. A mechanistically based model to evaluate the relationship between tissue distribution parameters and compound lipophilicity.

1998 • 36 citations

Impact of mechanism‐based enzyme inactivation on inhibitor potency: Implications for rational drug discovery

2000 • 31 citations

Prediction of in vivo tissue distribution from in vitro data 1. Experiments with markers of aqueous spaces.

2000 • 30 citations

Models of Hepatic Drug Elimination

1992 • 29 citations

An Approach for Incorporating Tissue Composition Data Into Physiologically Based Pharmacokinetic Models

1995 • 28 citations

Physiologically based pharmacokinetic (PB-PK) models in the study of the disposition and biological effects of xenobiotics and drugs

1995 • 25 citations

Mechanistic Animal-Replacement Approaches for Predicting Pharmacokinetics of Organic Chemicals

1999 • 21 citations

A Multi-Compartmental Model Generally Applicable to Physiologically-Based Pharmacokinetics

1997 • 20 citations

Physiologically‐Based Pharmacokinetic Model for Trichloroethylene Considering Enterohepatic Recirculation of Major Metabolites

1998 • 16 citations

Physiologically-based pharmacokinetic simulation modeling

2002 • 13 citations

CONCENTRATION DEPENDENCY OF RAT BLOOD:AIR PARTITION COEFFICIENTS OF SOME VOLATILE ORGANIC CHEMICALS

2000 • 12 citations

In vitro studies of teicoplanin binding to rat tissues and erythrocytes

1998 • 10 citations