Physiologically based pharmacokinetic modeling in drug discovery and development: A pharmaceutical industry perspective

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Basic Concepts in Physiologically Based Pharmacokinetic Modeling in Drug Discovery and Development

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Applications of Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation During Regulatory Review

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Population-Based Mechanistic Prediction of Oral Drug Absorption

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Towards a platform PBPK model to characterize the plasma and tissue disposition of monoclonal antibodies in preclinical species and human

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A Novel Strategy for Physiologically Based Predictions of Human Pharmacokinetics

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Physiologically Based Pharmacokinetic Modeling to Predict Transporter-Mediated Clearance and Distribution of Pravastatin in Humans

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Physiologically-based pharmacokinetic (PBPK) model to predict IgG tissue kinetics in wild-type and FcRn-knockout mice

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In vivo regulation of interleukin 1β in patients with cryopyrin-associated periodic syndromes

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Mechanistic Pharmacokinetic Modeling for the Prediction of Transporter-Mediated Disposition in Humans from Sandwich Culture Human Hepatocyte Data

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A Semi-Mechanistic Model to Predict the Effects of Liver Cirrhosis on Drug Clearance

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A Physiological Model for the Estimation of the Fraction Dose Absorbed in Humans

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Best Practice in the Use of Physiologically Based Pharmacokinetic Modeling and Simulation to Address Clinical Pharmacology Regulatory Questions

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The utility of modeling and simulation in drug development and regulatory review

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Regulatory Experience With Physiologically Based Pharmacokinetic Modeling for Pediatric Drug Trials

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Biodistribution of monoclonal antibodies: scale-up from mouse to human using a physiologically based pharmacokinetic model.

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PHRMA CPCDC initiative on predictive models of human pharmacokinetics, part 5: Prediction of plasma concentration–time profiles in human by using the physiologically‐based pharmacokinetic modeling approach

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In silico predictions of gastrointestinal drug absorption in pharmaceutical product development: application of the mechanistic absorption model GI-Sim

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Simultaneous Absolute Quantification of 11 Cytochrome P450 Isoforms in Human Liver Microsomes by Liquid Chromatography Tandem Mass Spectrometry with In Silico Target Peptide Selection

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Deciding on Success Criteria for Predictability of Pharmacokinetic Parameters from In Vitro Studies: An Analysis Based on In Vivo Observations

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The Role of Physiologically Based Pharmacokinetic Modeling in Regulatory Review

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Evaluation of a Generic Physiologically Based Pharmacokinetic Model for Lineshape Analysis

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A Predictive Model of Therapeutic Monoclonal Antibody Dynamics and Regulation by the Neonatal Fc Receptor (FcRn)

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Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, Part 1: Oral solutions

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Forecasting in vivo oral absorption and food effect of micronized and nanosized aprepitant formulations in humans

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Differences in Cytochrome P450-Mediated Pharmacokinetics Between Chinese and Caucasian Populations Predicted by Mechanistic Physiologically Based Pharmacokinetic Modelling

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Introduction to computational oral absorption simulation

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Applications of Physiologically Based Absorption Models in Drug Discovery and Development

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Physiologic modeling of cyclosporin kinetics in rat and man

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Challenges and opportunities with modelling and simulation in drug discovery and drug development

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Physiologically‐Based Pharmacokinetic (PBPK) Modeling and Simulations

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Application of IVIVE and PBPK modeling in prospective prediction of clinical pharmacokinetics: strategy and approach during the drug discovery phase with four case studies

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Simulation of Human Intravenous and Oral Pharmacokinetics of 21 Diverse Compounds Using Physiologically Based Pharmacokinetic Modelling

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A physiologically based pharmacokinetic (PBPK) approach to evaluate pharmacokinetics in patients with cancer

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Dose Selection Based on Physiologically Based Pharmacokinetic (PBPK) Approaches

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An Evaluation of the Utility of Physiologically Based Models of Pharmacokinetics in Early Drug Discovery

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Design, Data Analysis, and Simulation of in Vitro Drug Transport Kinetic Experiments Using a Mechanistic in Vitro Model

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Application of PBPK modelling in drug discovery and development at Pfizer

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Utility of a physiologically–based pharmacokinetic (PBPK) modeling approach to quantitatively predict a complex drug–drug–disease interaction scenario for rivaroxaban during the drug review process: implications for clinical practice

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Prediction of food effect by bile micelles on oral drug absorption considering free fraction in intestinal fluid

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The Prediction of Drug Metabolism, Tissue Distribution, and Bioavailability of 50 Structurally Diverse Compounds in Rat Using Mechanism-Based Absorption, Distribution, and Metabolism Prediction Tools

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From preclinical to human – prediction of oral absorption and drug–drug interaction potential using physiologically based pharmacokinetic (PBPK) modeling approach in an industrial setting: a workflow by using case example

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Saturable Uptake of Lipophilic Amine Drugs into Isolated Hepatocytes: Mechanisms and Consequences for Quantitative Clearance Prediction

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Designing biorelevant dissolution tests for lipid formulations: Case example – Lipid suspension of RZ-50

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Physiologically Based Predictions of the Impact of Inhibition of Intestinal and Hepatic Metabolism on Human Pharmacokinetics of CYP3A Substrates

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The Corrected Traditional Equations for Calculation of Hepatic Clearance that Account for the Difference in Drug Ionization in Extracellular and Intracellular Tissue Water and the Corresponding Corrected PBPK Equation

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Physiologically-based pharmacokinetic modeling for absorption, transport, metabolism and excretion

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Case Studies for Practical Food Effect Assessments across BCS/BDDCS Class Compounds using In Silico, In Vitro, and Preclinical In Vivo Data

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The Pharmacokinetic/Pharmacodynamic Pipeline: Translating Anticancer Drug Pharmacology to the Clinic

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Reevaluation of the Microsomal Metabolism of Montelukast: Major Contribution by CYP2C8 at Clinically Relevant Concentrations

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Identification of Intestinal Loss of a Drug through Physiologically Based Pharmacokinetic??Simulation of Plasma??Concentration-Time Profiles

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In SilicoModeling for the Nonlinear Absorption Kinetics of UK-343,664: A P-gp and CYP3A4 Substrate

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Early identification of drug-induced impairment of gastric emptying through physiologically based pharmacokinetic (PBPK) simulation of plasma concentration-time profiles in rat

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Impact of Physiologically Based Pharmacokinetic Modeling and Simulation in Drug Development

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Practical Anticipation of Human Efficacious Doses and Pharmacokinetics Using In Vitro and Preclinical In Vivo Data

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Commentary: Theoretical Predictions of Flow Effects on Intestinal and Systemic Availability in Physiologically Based Pharmacokinetic Intestine Models: The Traditional Model, Segregated Flow Model, and QGut Model

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Evaluating Systems Pharmacology Models Is Different From Evaluating Standard Pharmacokinetic–Pharmacodynamic Models

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Utility of Physiologically Based Modeling and Preclinical In Vitro/In Vivo Data to Mitigate Positive Food Effect in a BCS Class 2 Compound

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Physiologically based pharmacokinetic (PBPK) modeling and simulation: applications in lead optimization.

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Local versus Systemic Anti-Tumour Necrosis Factor-α Effects of Adalimumab in Rheumatoid Arthritis

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In Vivo Investigation in Pigs of Intestinal Absorption, Hepatobiliary Disposition, and Metabolism of the 5α-Reductase Inhibitor Finasteride and the Effects of Coadministered Ketoconazole

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Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation Approaches: A Systematic Review of Published Models, Applications, and Model Verification

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Computational Approaches in Preclinical Studies on Drug Discovery and Development

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Applied Concepts in PBPK Modeling: How to Build a PBPK/PD Model

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PBPK modeling and simulation in drug research and development

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Physiologically Based Pharmacokinetic Model Qualification and Reporting Procedures for Regulatory Submissions: A Consortium Perspective

Shebley, M., Sandhu, P., Emami Riedmaier, A., Jamei, M., Narayanan, R., Patel, A., Peters, S. A., Reddy, V. P., Zheng, M., de Zwart, L., et al. (2018) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.1013 · Cited by 395 · see citing works

Good Practices in Model‐Informed Drug Discovery and Development: Practice, Application, and Documentation

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Recent advances in carrier mediated nose-to-brain delivery of pharmaceutics

Bourganis, V., Kammona, O., Alexopoulos, A., & Kiparissides, C. (2018) · European Journal of Pharmaceutics and Biopharmaceutics · doi:10.1016/j.ejpb.2018.05.009 · Cited by 357 · see citing works

Physiologically Based Pharmacokinetic Modeling in Regulatory Science: An Update From the U.S. Food and Drug Administration’s Office of Clinical Pharmacology

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Impact of gastrointestinal physiology on drug absorption in special populations––An UNGAP review

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Application of physiologically based pharmacokinetic (PBPK) modeling to support dose selection: report of an FDA public workshop on PBPK

Wagner, C., Zhao, P., Pan, Y., Hsu, V, Grillo, J., Huang, S., & Sinha, V (2015) · CPT: Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.33 · Cited by 276 · see citing works

Intestinal Permeability and Drug Absorption: Predictive Experimental, Computational and In Vivo Approaches

Dahlgren, D., & Lennernäs, H. (2019) · Pharmaceutics · doi:10.3390/pharmaceutics11080411 · Cited by 261 · see citing works

Recent Advances in Development and Application of Physiologically-Based Pharmacokinetic (PBPK) Models: a Transition from Academic Curiosity to Regulatory Acceptance

Jamei, M. (2016) · Current Pharmacology Reports · doi:10.1007/s40495-016-0059-9 · Cited by 244 · see citing works

In silicoADME-Tox modeling: progress and prospects

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Cardiovascular disease models: A game changing paradigm in drug discovery and screening

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Computational pharmaceutics - A new paradigm of drug delivery

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Pharmacokinetic and Pharmacodynamic Properties of Drug Delivery Systems

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Clinical Studies on Drug–Drug Interactions Involving Metabolism and Transport: Methodology, Pitfalls, and Interpretation

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The Biopharmaceutics Classification System (BCS) and the Biopharmaceutics Drug Disposition Classification System (BDDCS): Beyond guidelines

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Recent advances in the translation of drug metabolism and pharmacokinetics science for drug discovery and development

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Meta‐analysis of hepatic cytochrome P450 ontogeny to underwrite the prediction of pediatric pharmacokinetics using physiologically based pharmacokinetic modeling

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Clearance Prediction Methodology Needs Fundamental Improvement: Trends Common to Rat and Human Hepatocytes/Microsomes and Implications for Experimental Methodology

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Food Effects on Oral Drug Absorption: Application of Physiologically-Based Pharmacokinetic Modeling as a Predictive Tool

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A Next-Generation Risk Assessment Case Study for Coumarin in Cosmetic Products

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An in vitro toolbox to accelerate anti-malarial drug discovery and development

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Current challenges and future perspectives in oral absorption research: An opinion of the UNGAP network

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Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies

Miller, N. A., Reddy, M. B., Heikkinen, A. T., Lukacova, V., & Parrott, N. (2019) · Clinical Pharmacokinetics · doi:10.1007/s40262-019-00741-9 · Cited by 142 · see citing works

Model-Informed Drug Discovery and Development: Current Industry Good Practice and Regulatory Expectations and Future Perspectives

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Applications, Challenges, and Outlook for PBPK Modeling and Simulation: A Regulatory, Industrial and Academic Perspective

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Physiologically‐Based Pharmacokinetic Modeling in Renal and Hepatic Impairment Populations: A Pharmaceutical Industry Perspective

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Physiologically-based pharmacokinetic models: approaches for enabling personalized medicine

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Advancing Predictions of Tissue and Intracellular Drug Concentrations Using In Vitro, Imaging and Physiologically Based Pharmacokinetic Modeling Approaches

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Systems pharmacology – Towards the modeling of network interactions

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Computational Models for Clinical Applications in Personalized Medicine—Guidelines and Recommendations for Data Integration and Model Validation

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A generic whole body physiologically based pharmacokinetic model for therapeutic proteins in PK-Sim

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Prediction of human drug-induced liver injury (DILI) in relation to oral doses and blood concentrations

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Advancing pharmaceutical research: A comprehensive review of cutting-edge tools and technologies

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Evaluation of a New Molecular Entity as a Victim of Metabolic Drug-Drug Interactions—an Industry Perspective

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Mathematical modeling and simulation in animal health – Part II : principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment

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Predictive Performance of Physiologically Based Pharmacokinetic Models for the Effect of Food on Oral Drug Absorption: Current Status

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Predicting Drug Extraction in the Human Gut Wall: Assessing Contributions from Drug Metabolizing Enzymes and Transporter Proteins using Preclinical Models

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Improving natural product research translation: From source to clinical trial

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Pharmacokinetics in Drug Discovery: An Exposure-Centred Approach to Optimising and Predicting Drug Efficacy and Safety

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Evaluating the Role of Solubility in Oral Absorption of Poorly Water‐Soluble Drugs Using Physiologically‐Based Pharmacokinetic Modeling

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A Comprehensive Review on the Pharmacokinetics and Drug−Drug Interactions of Approved GLP-1 Receptor Agonists and a Dual GLP-1/GIP Receptor Agonist

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<i>In Silico</i> Modeling of Gastrointestinal Drug Absorption: Predictive Performance of Three Physiologically Based Absorption Models

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Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters

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Precision Dosing: Public Health Need, Proposed Framework, and Anticipated Impact

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Prediction of drug–drug interaction potential using physiologically based pharmacokinetic modeling

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Physiologically-based modeling of monoclonal antibody pharmacokinetics in drug discovery and development

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Requirements to Establishing Confidence in Physiologically Based Pharmacokinetic (PBPK) Models and Overcoming Some of the Challenges to Meeting Them

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Challenges Associated With Applying Physiologically Based Pharmacokinetic Modeling for Public Health Decision-Making

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Drug-drug interactions and QT prolongation as a commonly assessed cardiac effect - comprehensive overview of clinical trials

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Mechanistic Physiologically Based Pharmacokinetic Modeling of the Dissolution and Food Effect of a Biopharmaceutics Classification System IV Compound—The Venetoclax Story

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Quantitative Prediction of the Effect of CYP3A Inhibitors and Inducers on Venetoclax Pharmacokinetics Using a Physiologically Based Pharmacokinetic Model

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Multi-scale Modeling in Clinical Oncology: Opportunities and Barriers to Success

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Pharmacokinetics and Pharmacodynamics Modeling and Simulation Systems to Support the Development and Regulation of Liposomal Drugs

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Physiologically Based Absorption Modeling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Alectinib

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Usefulness of PBPK Modeling in Incorporation of Clinical Conditions in Personalized Medicine

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In Vitro–In Vivo Extrapolation of Metabolism- and Transporter-Mediated Drug–Drug Interactions—Overview of Basic Prediction Methods

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Physiologically Based Pharmacokinetic (PBPK) Modeling of Pitavastatin and Atorvastatin to Predict Drug-Drug Interactions (DDIs)

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State-of-the-Art Review on Physiologically Based Pharmacokinetic Modeling in Pediatric Drug Development

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Dose Optimization Informed by PBPK Modeling: State‐of‐the Art and Future

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Maximizing the impact of microphysiological systems with in vitro – in vivo translation

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Prediction of olanzapine exposure in individual patients using physiologically based pharmacokinetic modelling and simulation

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Recent developments in using mechanistic cardiac modelling for drug safety evaluation

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Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery

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Application of Physiologically Based Pharmacokinetic Modeling of Novel Drugs Approved by the U.S. Food and Drug Administration

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Delineating the Role of Various Factors in Renal Disposition of Digoxin through Application of Physiologically Based Kidney Model to Renal Impairment Populations

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Impact of Physiologically Based Pharmacokinetic Models on Regulatory Reviews and Product Labels: Frequent Utilization in the Field of Oncology

Yoshida, K. J., Budha, N. R., & Jin, J. (2017) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.622 · Cited by 65 · see citing works

Performance Assessment and Translation of Physiologically Based Pharmacokinetic Models From acslX to Berkeley Madonna, MATLAB, and R Language: Oxytetracycline and Gold Nanoparticles As Case Examples

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Biopharmaceutics Applications of Physiologically Based Pharmacokinetic Absorption Modeling and Simulation in Regulatory Submissions to the U.S. Food and Drug Administration for New Drugs

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Approaches for Establishing Clinically Relevant Dissolution Specifications for Immediate Release Solid Oral Dosage Forms

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Computational modeling of human oral bioavailability: what will be next?

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Physiologically Based Absorption Modeling to Impact Biopharmaceutics and Formulation Strategies in Drug Development—Industry Case Studies

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Physiologically‐Based Pharmacokinetic Modeling Approach to Predict Rifampin‐Mediated Intestinal P‐Glycoprotein Induction

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Application of physiologically based kinetic (PBK) modelling in the next generation risk assessment of dermally applied consumer products

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Current status and future opportunities for incorporation of dissolution data in PBPK modeling for pharmaceutical development and regulatory applications: OrBiTo consortium commentary

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Insights from pharmacokinetic models of host-microbiome drug metabolism

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Development of a Translational Model to Assess the Impact of Opioid Overdose and Naloxone Dosing on Respiratory Depression and Cardiac Arrest

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Predicting Clinical Effects of CYP3A4 Modulators on Abemaciclib and Active Metabolites Exposure Using Physiologically Based Pharmacokinetic Modeling

Posada, M. M., Morse, B. L., Turner, P. K., Kulanthaivel, P., Hall, S. D., & Dickinson, G. L. (2020) · The Journal of Clinical Pharmacology · doi:10.1002/jcph.1584 · Cited by 55 · see citing works

Physiologically based pharmacokinetic models of small molecules and therapeutic antibodies: a mini‐review on fundamental concepts and applications

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Current State and Challenges of Physiologically Based Biopharmaceutics Modeling (PBBM) in Oral Drug Product Development

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The great barrier belief: The blood–brain barrier and considerations for juvenile toxicity studies

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Predicting Human Clearance of Organic Anion Transporting Polypeptide Substrates Using Cynomolgus Monkey: In Vitro–In Vivo Scaling of Hepatic Uptake Clearance

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The Ontogeny of UDP-glucuronosyltransferase Enzymes, Recommendations for Future Profiling Studies and Application Through Physiologically Based Pharmacokinetic Modelling

Badée, J., Fowler, S., de Wildt, S. N., Collier, A., Schmidt, S., & Parrott, N. (2018) · Clinical Pharmacokinetics · doi:10.1007/s40262-018-0681-2 · Cited by 43 · see citing works

Physiologically Based Absorption Modelling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Entrectinib

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A Whole-Body Physiologically Based Pharmacokinetic Model of Gefitinib in Mice and Scale-Up to Humans

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Transporter‐Mediated Hepatic Uptake Plays an Important Role in the Pharmacokinetics and Drug–Drug Interactions of Montelukast

Varma, M., Kimoto, E., Scialis, R. J., Bi, Y., Lin, J., Eng, H. F., Kalgutkar, A. S. S., El‐Kattan, A., Rodrigues, A., & Tremaine, L. (2016) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.520 · Cited by 52 · see citing works

Towards a Best Practice Approach in PBPK Modeling: Case Example of Developing a Unified Efavirenz Model Accounting for Induction of CYPs 3A4 and 2B6

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The Regional-Specific Relative and Absolute Expression of Gut Transporters in Adult Caucasians: A Meta-Analysis

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A human-on-a-chip approach to tackling rare diseases

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Quantitative systems pharmacology: a promising approach for translational pharmacology

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A whole-body physiologically based pharmacokinetic (WB-PBPK) model of ciprofloxacin: a step towards predicting bacterial killing at sites of infection

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Comprehensive Evaluation of the Utility of 20 Endogenous Molecules as Biomarkers of OATP1B Inhibition Compared with Rosuvastatin and Coproporphyrin I

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Kinetic analysis of sequential metabolism of triazolam and its extrapolation to humans using an entero-hepatic two-organ microphysiological system

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Biomarker‐Informed Model‐Based Risk Assessment of Organic Anion Transporting Polypeptide 1B Mediated Drug‐Drug Interactions

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Physiologically Based Pharmacokinetic Model of All-trans-Retinoic Acid with Application to Cancer Populations and Drug Interactions

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Model-based Target Pharmacology Assessment (mTPA): An Approach Using PBPK/PD Modeling and Machine Learning to Design Medicinal Chemistry and DMPK Strategies in Early Drug Discovery

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Opportunities and challenges of physiologically based pharmacokinetic modeling in drug delivery

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Challenges in working towards an internal threshold of toxicological concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop

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Basic Concepts in Physiologically Based Pharmacokinetic Modeling in Drug Discovery and Development

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Physiologically based pharmacokinetic modeling as a tool for drug development

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Physiologically-based Pharmacokinetic Modelling in Drug Development: A View from the Pharmaceutical Industry

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Physiology-based pharmacokinetic modeling: ready to be used

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