PBPK Modeling and Analysis/Simulation

Better understand the PBPK behind your compounds.

Simulations Plus offers PBPK consulting services using our GastroPlus™ software – the pharmaceutical industry’s most sophisticated platform for the prediction of drug absorption and disposition in human and animal species. GastroPlus, with its #1-ranked Advanced Compartmental Absorption and Transit (ACAT™) and PBPK models, has features and capabilities to support Model Based Drug Development in all phases of drug discovery, translational research, and clinical development.

If your organization does not have the time or resources to use our software directly, or if you need a fast turnaround on a particular project, our comprehensive consulting service is the solution. Our interdisciplinary team of experts can review your data, work with you to identify the issues of concern, and apply our technology and expertise to offer unique insights that will guide your projects towards an optimal strategy and outcome.

The combination of PBPK modeling techniques with our population PK/PD modeling and simulation expertise allows us to offer a variety of high-value, end-to-end solutions.

For example:

We can identify mechanistic explanations for unexplained variances in absorption characteristics and bioavailability results and use that information to guide population PK and PD modeling and simulation efforts.

  • We can predict drug behavior in pediatric patient populations and perform clinical trial simulations to ensure patient safety and optimize efficacy outcomes in clinical trials while minimizing number of subjects needed.
  • We can perform PBPK modeling of preclinical data to define dosing strategies for First in Human (FIH) studies

Other examples of the ways our PBPK consulting support can assist with your research include:

  • in silico screening of compound libraries based on PK endpoints (F%, Cmax, AUC)
  • extrapolation of in vitro metabolism and transport data to in vivo values (IVIVE) and predicting exposures in animals and humans
  • generation of mechanistic in vitro-in vivo correlations (IVIVCs) for new formulation development
  • preclinical formulation assessment
  • clinical formulation development and implementation of Quality by Design (QbD)
  • population pharmacokinetic and pharmacodynamic predictions for different disease states and age groups
  • conduct virtual bioequivalence (BE) trials to optimize study design
  • prediction of food effects (positive and negative)and implications for clinical treatment scenarios
  • prediction of drug-drug interactions (DDI)
  • performance of nonlinear kinetic modeling for metabolism and carrier-mediated transport
  • prediction of tissue concentrations at the proposed site of action of a new drug
  • optimization of generic formulation designs

All major regulatory agencies around the world, including the U.S., Canada, Europe, China, and Japan have licenses to GastroPlus, with reviewers in all divisions trained on the program. Our interactions with them have helped us create report templates that present the methods and results in a clear, concise manner. Our reputation and credibility at regulatory agencies has led our clients to deploy GastroPlus as an integral component of drug evaluation prior to regulatory interactions and submissions, while leaning on our PBPK consulting services when expert support is required.