Hierarchial model approach and experimental validation for typical drug discovery system dissolution profile predictions (ModelDrug)

The Project’s overall goal is to create a drug dissolution model based on the application of surrogate modelling by applying Computational Fluid Dynamics (CFD), and drug release/disintegration kinetics approaches to reduce resources (human, chemical, etc.) and environmental impacts.
Project scientific objectives of the proposed 3-year Project are: 1. Define experiment and model variables based on Drug Release Model (DRM) Tablet parameters, DRM calibration, CFD model and drug release kinetics variables; 2. Develop a surrogate model based on the CFD simulations for USP1 and USP2 dissolution apparatus and develop a kinetic model for predicting drug release profiles. 3. Develop a fast simulation toolkit for rapid reliable targeted drug delivery system design. The research project will focus on a modelling of a meaningful and predictive dissolution process for drug delivery systems to reduce experimental effort and increase the quality of planning experiments and model building. To implement the ModelDrug Project and to reach a meaningful dissolution process, we will use two main factors that influence the processes in the drug delivery: diffusion and dissolution flow around the drug product and kinetics of dissolution/disintegration. The ModelDrug project will study and model these processes separately and then combine them into one common model. The developed toolkit ModelDrugSmart will be applicable to simplify pharmaceutical manufacturing and future 3D drug release systems.