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.

Simulations Plus Extends Collaboration with Major Toxicology Research Agency

Simulations Plus Extends Collaboration with Major Toxicology Research Agency

Research project with NIEHS includes focus on qualification of in silico methods for prioritization, assessment of risk, and identification of safety margins for chemical use.

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.