Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Publication: Novel Approaches for Cutaneous Pharmacokinetics
Software: GastroPlus®

Quantitative in silico tools may be leveraged to mechanistically predict the dermato-pharmacokinetics of compounds delivered from topical and transdermal formulations by integrating systems of rate equations...

Accelerated and Biopredictive In Vitro Release Testing Strategy for Single Agent and Combination Long-Acting Injectables

Accelerated and Biopredictive In Vitro Release Testing Strategy for Single Agent and Combination Long-Acting Injectables

Publication: J Pharm Sci
Software: GastroPlus®

The purpose of this study was to develop an in vitro release testing (IVRT) strategy to predict the pre-clinical performance of single agent and combination long acting injectable (LAI) suspension products.

Physiologically Based Pharmacokinetic (PBPK) Model Predictions of Disease Mediated Changes in Drug Disposition in Patients with Nonalcoholic Fatty Liver Disease (NAFLD)

Physiologically Based Pharmacokinetic (PBPK) Model Predictions of Disease Mediated Changes in Drug Disposition in Patients with Nonalcoholic Fatty Liver Disease (NAFLD)

Publication: Pharm Res
Software: GastroPlus®

This study was designed to verify a virtual population representing patients with nonalcoholic fatty liver disease (NAFLD) to support the implementation of a physiologically based pharmacokinetic (PBPK) modeling...

The AI‑driven Drug Design (AIDD) platform: an interactive multi‑parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations

The AI‑driven Drug Design (AIDD) platform: an interactive multi‑parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations

Publication: Journal of Computer-Aided Molecular Design

Computer-aided drug design has advanced rapidly in recent years, and multiple instances of in silico designed molecules advancing to the clinic have demonstrated the contribution of this field to medicine.

Human biomonitoring and toxicokinetics as key building blocks for next generation risk assessment

Human biomonitoring and toxicokinetics as key building blocks for next generation risk assessment

Publication: Environ Int
Software: GastroPlus®

Human health risk assessment is historically built upon animal testing, often following Organisation for Economic Co-operation and Development (OECD) test guidelines and exposure assessments.

Accurate Prediction of Kp,uu,brain Based on Experimental Measurement of Kp,brain and Computed Physicochemical Properties of Candidate Compounds in CNS Drug Discovery

Accurate Prediction of Kp,uu,brain Based on Experimental Measurement of Kp,brain and Computed Physicochemical Properties of Candidate Compounds in CNS Drug Discovery

Publication: Heliyon
Software: ADMET Predictor®
Division: Cheminformatics

A mathematical equation model was developed by building the relationship between the fu,b/fu,p ratio and the computed physicochemical properties of candidate compounds, thereby predicting Kp,uu,brain based on a single experimentally measured Kp,brain value.

Chronic kidney disease and physiologically based pharmacokinetic modeling: a critical review of existing models

Chronic kidney disease and physiologically based pharmacokinetic modeling: a critical review of existing models

Software: GastroPlus®

Physiologically based pharmacokinetic (PBPK) modeling is a paradigm shift in this era for determining the exposure of drugs in pediatrics, geriatrics, and patients with chronic diseases where clinical trials are difficult to conduct.

Using Mechanistic Modeling Approaches to Support Bioequivalence Assessments for Oral Products

Using Mechanistic Modeling Approaches to Support Bioequivalence Assessments for Oral Products

Publication: AAPS J
Software: GastroPlus®

This report summarizes the proceedings for Day 1 Session 3 of the 2-day public workshop entitled “Best Practices for Utilizing Modeling Approaches to Support Generic Product Development,” a jointly sponsored workshop by the US Food and Drug Administration (FDA) and the Center for Research on Complex Generics (CRCG) in the year 2022.

Population pharmacokinetics of the dual endothelin receptor antagonist aprocitentan in subjects with or without essential or resistant hypertension

Population pharmacokinetics of the dual endothelin receptor antagonist aprocitentan in subjects with or without essential or resistant hypertension

Publication: J Pharmacokinet Pharmacodyn

Aprocitentan is a novel, potent, dual endothelin receptor antagonist that recently demonstrated efficacy in the treatment of difficult-to-treat (resistant) hypertension.

Using molecularly dissolved drug concentrations in PBBMs improves the prediction of oral absorption from supersaturating formulations

Using molecularly dissolved drug concentrations in PBBMs improves the prediction of oral absorption from supersaturating formulations

Publication: Eur J Pharm Sci
Software: GastroPlus®

Predicting the absorption of drugs from enabling formulations is still challenging due to the limited capabilities of standard physiologically based biopharmaceutics models (PBBMs) to capture complex absorption processes.

PBPK Modeling Approach to Predict the Behavior of Drugs Cleared by Metabolism in Pregnant Subjects and Fetuses

PBPK Modeling Approach to Predict the Behavior of Drugs Cleared by Metabolism in Pregnant Subjects and Fetuses

Publication: Pharmaceutics
Software: GastroPlus®
Therapeutic Areas: PBPK

This study aimed to develop a physiologically based pharmacokinetic (PBPK) model that simulates metabolically cleared compounds’ pharmacokinetics (PK) in pregnant subjects and fetuses.

Pharmacokinetic model of human exposure to ciprofloxacin through consumption of fish

Pharmacokinetic model of human exposure to ciprofloxacin through consumption of fish

Publication: Environ Toxicol Pharmacol
Software: GastroPlus®
Division: PBPK

Fluoroquinolones are broad-spectrum antibiotics that accumulate in the environment.

Use of the Same Model or Modeling Strategy Across Multiple Submissions: Focus on Complex Drug Products

Use of the Same Model or Modeling Strategy Across Multiple Submissions: Focus on Complex Drug Products

Publication: AAPS J
Software: GastroPlus®
Division: PBPK

Evidence shows that there is an increasing use of modeling and simulation to support product development and approval for complex generic drug products in the USA, which includes the use of mechanistic modeling and model-integrated evidence (MIE).