Deciphering Dissolution Dynamics: Building a Digital Model of TIM-1 Apparatus

To develop a digital model of the TIM-1 apparatus to provide a mechanistic understanding of the key attributes of pharmaceutical products that underpin their dissolution in vivo. Specifically, this project will examine the balance between supersaturation and precipitation for enabled formulations. The media components in the TIM apparatus are known as are solubility values for a series of drugs. An in silico model can be built to replicate the TIM as a series of dynamic compartments where the media and volumes change over time to predict where precipitation may occur based on simple solubility. Development of this model will start with material balance equations (Python or gPROMS), before exploring computational fluid dynamic approaches (M-Star CFD, Simcenter SPH, nanoFluidX) This model could then inform a formulation strategy as it would show the regional mapping of precipitation which can inform how and what formulation is used to enhance solubility and minimise precipitation according to the spring and parachute effect.
This model will underpin more advanced systems where the impact of formulation components can be incorporated. The physical data can come from the TIM apparatus with measures of both drug and excipient solubility according to region.