A Cell-Based Molecular Transport Simulator for Pharmacokinetic Prediction and Cheminformatic Exploration

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A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability.

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Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells

1991 • 1,787 citations

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In vitro permeability across Caco-2 cells (colonic) can predict in vivo (small intestinal) absorption in man--fact or myth.

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MDCK (Madin-Darby Canine Kidney) Cells: A Tool for Membrane Permeability Screening

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Waiver of In Vivo Bioavailability and Bioequivalence Studies for Immediate-Release Solid Oral Dosage Forms Based on a Biopharmaceutics Classification System

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Delocalized lipophilic cations selectively target the mitochondria of carcinoma cells

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Managing the drug discovery/development interface

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High-Throughput Permeability pH Profile and High-Throughput Alkane/Water logPwith Artificial Membranes

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Correlation of Human Jejunal Permeability (in Vivo) of Drugs with Experimentally and Theoretically Derived Parameters. A Multivariate Data Analysis Approach

1998 • 436 citations

Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds.

1998 • 429 citations

Correlation of Drug Absorption with Molecular Surface Properties

1996 • 408 citations

Mitochondrial and plasma membrane potentials cause unusual accumulation and retention of rhodamine 123 by human breast adenocarcinoma-derived MCF-7 cells.

1985 • 398 citations

Doxorubicin‐Induced Cardiac Mitochondrionopathy

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The membrane dipole potential in a total membrane potential model. Applications to hydrophobic ion interactions with membranes

1986 • 362 citations

Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs' lipophilicity and molecular weight

1998 • 336 citations

A comparative study of artificial membrane permeability assay for high throughput profiling of drug absorption potential

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Prediction of intestinal permeability

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Active secretion and enterocytic drug metabolism barriers to drug absorption

1996 • 310 citations

Plant uptake and transport models for neutral and ionic chemicals

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Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery

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HT29-MTX/Caco-2 Cocultures as an in Vitro Model for the Intestinal Epithelium: In Vitro–in Vivo Correlation with Permeability Data from Rats and Humans

1996 • 258 citations

Correlation between oral drug absorption in humans, and apparent drug permeability in TC-7 cells, a human epithelial intestinal cell line: comparison with the parental Caco-2 cell line.

1998 • 239 citations

Active secretion and enterocytic drug metabolism barriers to drug absorption1PII of original article: S0169-409X(96)003304. The article was originally published in Advanced Drug Delivery Reviews 20 (1996) 99–112.1

2001 • 238 citations

Active Secretion of Drugs from the Small Intestinal Epithelium in Rats by P-Glycoprotein Functioning as an Absorption Barrier

1996 • 229 citations

pH-dependent bidirectional transport of weakly basic drugs across Caco-2 monolayers: implications for drug-drug interactions.

2003 • 206 citations

Caco-2 permeability of weakly basic drugs predicted with the Double-Sink PAMPA method

2005 • 206 citations

Drug liposome partitioning as a tool for the prediction of human passive intestinal absorption.

1999 • 200 citations

Hydrophobic ion interactions with membranes. Thermodynamic analysis of tetraphenylphosphonium binding to vesicles

1986 • 198 citations

Estimation of the relative contribution of the transcellular and paracellular pathway to the transport of passively absorbed drugs in the Caco-2 cell culture model.

1997 • 188 citations

A predictive model for the selective accumulation of chemicals in tumor cells

2005 • 178 citations

In Silico Prediction of Membrane Permeability from Calculated Molecular Parameters

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Drug permeation in biomembranes

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Effect of molecular charge on intestinal epithelial drug transport: pH-dependent transport of cationic drugs.

1999 • 172 citations

Novel Methods for the Prediction of logP, pK_a, and logD

2002 • 161 citations

Functional Role of P-Glycoprotein in Limiting Intestinal Absorption of Drugs: Contribution of Passive Permeability to P-Glycoprotein Mediated Efflux Transport

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P450s: Structural similarities and functional differences

1996 • 133 citations

Predicted 3D structure for the human β2 adrenergic receptor and its binding site for agonists and antagonists

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A Rapid Method for pKa Determination of Drugs Using Pressure-Assisted Capillary Electrophoresis with Photodiode Array Detection in Drug Discovery

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Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability

2005 • 112 citations

Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis

2002 • 112 citations

Theoretical calculation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics.

1997 • 101 citations

Clinical Pharmacokinetics of ??-Adrenoceptor Antagonists

1987 • 99 citations

Weak Base Permeability Characteristics Influence the Intracellular Sequestration Site in the Multidrug-resistant Human Leukemic Cell Line HL-60

2004 • 96 citations

Clinical pharmacokinetics of atenolol — A review

1982 • 88 citations

Chemical space navigation in lead discovery

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Hydrophobic Ion Hydration and the Magnitude of the Dipole Potential

2002 • 83 citations

Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties.

1999 • 82 citations

Pharmacokinetically Based Mapping Device for Chemical Space Navigation

2002 • 78 citations

Ion-Trapping, Microsomal Binding, and Unbound Drug Distribution in the Hepatic Retention of Basic Drugs

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Permeability Dominates in Vivo Intestinal Absorption of P-gp Substrate with High Solubility and High Permeability

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Rapid pKa estimation using vacuum‐assisted multiplexed capillary electrophoresis (VAMCE) with ultraviolet detection

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F16, a Mitochondriotoxic Compound, Triggers Apoptosis or Necrosis Depending on the Genetic Background of the Target Carcinoma Cell

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Comparison of pharmacokinetic properties of beta-adrenoceptor blocking drugs

1987 • 69 citations

Pharmacokinetics of beta-adrenoceptor blocking agents: clinical significance of hepatic and/or renal clearance.

1990 • 62 citations

Pharmacokinetics of Atenolol Enantiomers in Humans and Rats

1990 • 60 citations

Determination of the pKa values of β-blockers by automated potentiometric titrations

2000 • 58 citations

Different retention behavior of structurally diverse basic and neutral drugs in immobilized artificial membrane and reversed-phase high performance liquid chromatography: Comparison with octanol–water partitioning

2006 • 58 citations

The Extracellular Domain of Receptor Activity-modifying Protein 1 Is Sufficient for Calcitonin Receptor-like Receptor Function

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Drug delivery studies in Caco-2 monolayers. Synthesis, hydrolysis, and transport of O-cyclopropane carboxylic acid ester prodrugs of various beta-blocking agents.

1995 • 51 citations

Drug interactions with diosmectite: a study using the artificial stomach–duodenum model

1999 • 50 citations

Oncology exploration: charting cancer medicinal chemistry space

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Chemoinformatic Analysis of a Supertargeted Combinatorial Library of Styryl Molecules

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System Dynamics of Subcellular Transport

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Kinetics of Subcellular Distribution of Compounds in Simple Biosystems and its Use in QSAR

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Science or pursuit of creativity

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Early onset bladder cancers show distinct clinical, pathological and molecular features

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