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QPRapp: A Web-Based Platform for PK/PD Simulations and Early Feasibility Analysis
Saroj Dhakal1, Yorgos M Psarellis1, Nikhil Pillai1
1Quantitative Pharmacology-Pharmacometrics-Research, Translational Medicine Unit (TMU), Sanofi, Cambridge, Massachusetts, USA.
CPT: Pharmacometrics & Systems Pharmacology
|September 16, 2025
Summary
Quantitative pharmacology research application (QPRapp) simplifies dose-exposure and PK/PD assessments for small and large molecules. This tool aids drug discovery by enabling target occupancy calculations and simulations for various drug types.
Area of Science:
- Pharmacology
- Computational Biology
- Drug Development
Background:
- Quantitative pharmacology research requires robust tools for evaluating dose-exposure relationships and pharmacokinetic/pharmacodynamic (PK/PD) assessments.
- Assessing complex molecules like bi- and tri-specific drugs, including target occupancy, presents computational challenges.
- Model-informed drug development (MIDD) is crucial for early-stage drug discovery but often requires specialized expertise.
Purpose of the Study:
- To introduce Quantitative Pharmacology Research Application (QPRapp), a user-friendly web-based interface.
- To facilitate PK/PD assessment, dose-exposure relationship evaluation, and target occupancy calculations for diverse molecules.
- To support early feasibility analysis (EFA) and target-mediated drug disposition (TMDD) simulations.
Main Methods:
- Developed a Shiny for Python web application, QPRapp.
- Incorporated a streamlined dashboard with multiple input options via drop-down menus.
- Enabled user specification of molecule type (small/large), model compartments (1-2), and number of targets (1-3 for large molecules).
- Integrated four indirect response PK/PD models for small molecule simulations.
- Included features for TMDD and EFA for multi-specific molecules.
Main Results:
- QPRapp provides an interactive platform for PK/PD simulations.
- Users can easily evaluate dose-exposure relationships and calculate target occupancy.
- Simulated scenarios can be exported as CSV files for further analysis.
- The application supports complex assessments for mono-, bi-, and tri-specific molecules.
Conclusions:
- QPRapp democratizes quantitative pharmacology research by offering an accessible tool.
- It empowers project teams with limited computational expertise to apply MIDD principles early in drug discovery.
- The application enhances the evaluation of dose-exposure relationships and PK/PD for a wide range of molecules.
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