GastroPlus in Model-informed Drug Development: PBPK Modelling, ACAT Modelling, and Regulatory Relevance

Abstract

GastroPlus is a popular mid-21st century modeling software used in the drug development
world to simulate in vivo drug behaviours based on in vitro and physicochemical data. It
combines the most important parameters of solubility, permeability, dissolution, particle size,
pKa and gastrointestinal physiology to mimic drug absorption, distribution, metabolism, and
excretion (ADME). To make it easier to anticipate plasma concentration–time profiles in
various physiological and dosage settings, the platform integrates sophisticated
compartmental modelling of the gastrointestinal tract and systemic pharmacokinetic
processes.
Additionally, GastroPlus is a crucial tool in drug development for dose selection,
bioavailability increase, formulation design optimisation, and reducing the need for extensive
animal and human research. It turns out to be a useful technique for preclinical and clinical
assessments to determine how food, disease states, and population variability affect drug
efficacy. Furthermore, it can be integrated with pharmacokinetic and pharmacodynamic
(PK/PD) modelling, which helps in lead optimisation and regulatory submissions.
GastroPlus is a complete in silico tool that can improve oral medication absorption and
systemic exposure prediction accuracy, reduce development costs, shorten time to market for
new therapies, and increase efficiency.