Model Informed-Development of Amorphous Systems (MI-DAS) - an in-silico polymer selection tool for ASD development

Abstract

Forming amorphous solid dispersions (ASDs) is one method for improving the solubility and subsequent absorption of poorly-water soluble drugs. An ASD is a matrix of a poorly water-soluble compound with a hydrophilic polymer carrier, which stabilises the drug in its amorphous form. The choice of polymer is often made based on previous success and precedence in other ASD products, and not on the suitability for the drug in development. A bespoke in-silico polymer selection tool (PST) has been developed which selects polymers based on their structural complementarity with the drug. Here, we demonstrate how use of the PST in early development of the Tacrolimus ASD would have identified a more optimal polymer with better API miscibility.

Keywords

• amorphous
• polymer
• model-informed
• in-silico