gPKPDSim: a SimBiology^®-based GUI application for PKPD modeling in drug development

Area of Science:

• Pharmacology and Pharmaceutical Sciences
• Computational Biology
• Drug Development

Background:

• Modeling and simulation (M&S) are crucial in drug development for characterizing pharmacokinetic-pharmacodynamic (PKPD) relationships.
• M&S supports key stages including target assessment, molecule selection, human PK projection, and dose determination.
• While model development requires specialized expertise, broader scientific use is limited by accessibility.

Purpose of the Study:

• To develop a versatile graphical user interface (GUI) application for accessible PKPD analysis.
• To enable scientists across disciplines to utilize SimBiology models for PKPD studies.
• To facilitate the design, analysis, and interpretation of experimental studies through user-friendly modeling tools.

Main Methods:

• Development of gPKPDSim, a MATLAB-based GUI application with a single-screen interface.
• Implementation of core functionalities: simulation, data fitting (parameter estimation), population simulation, and non-compartmental PK analysis.
• Integration of interactive visualization, results export, and presentation-ready figure generation.

Main Results:

• gPKPDSim provides a user-friendly platform for executing common PKPD analyses.
• The application supports exploration of parameter variability and its impact on study outcomes.
• Demonstrated utility across multiple PKPD models for preclinical and translational drug development.

Conclusions:

• gPKPDSim democratizes the use of PKPD models, making them accessible to a wider range of scientists.
• The tool enhances efficiency in drug development by enabling broader participation in M&S.
• gPKPDSim is an open-source, integrated solution for efficient PKPD modeling and analysis.