Overview of GastroPlus 10.1

GastroPlus is a leading mechanistically based simulation software developed by Simulations Plus, Inc., designed for physiologically-based pharmacokinetics (PBPK) and physiologically-based biopharmaceutics modeling (PBBM). It enables researchers, pharmaceutical scientists, and drug developers to predict drug absorption, distribution, metabolism, excretion (ADME), and pharmacodynamics across various routes of administration (e.g., oral, intravenous, dermal, inhalation) in humans and animals. Version 10.1 is part of the established GastroPlus lineup, focusing on accurate in silico predictions to optimize drug formulation, reduce animal testing, and accelerate R&D workflows.

Key Features of GastroPlus 10.1

  • Core Modeling Capabilities:
    • Simulates gastrointestinal (GI) absorption using the Advanced Compartmental Absorption and Transit (ACAT™) model, which accounts for factors like dissolution, precipitation, metabolism, and transport in GI compartments.
    • Supports PBPK for tissue distribution, nonlinear metabolism, drug-drug interactions (DDIs), and population-based simulations (e.g., pediatrics, geriatrics, or disease states).
    • Integrates with tools like ADMET Predictor® for estimating physicochemical properties (e.g., solubility, permeability) from molecular structures.
  • User Interface and Workflow Enhancements:
    • User-friendly GUI with an embedded model assistant for validation and an AI-powered chatbot for real-time queries.
    • REST API and scripting support (R/Python) for automation and integration into larger pipelines.
    • Faster processing speeds compared to earlier versions, with reusable simulation assets for efficiency.
  • Applications:
    • Drug Development: Predict bioequivalence (BE), bioavailability, and formulation impacts without in vivo studies.
    • Regulatory Support: Used for FDA/EMA submissions, such as virtual BE studies (e.g., for generics like atorvastatin tablets).
    • Education and Research: Incorporated in pharmacy curricula for teaching biopharmaceutics concepts via interactive simulations.