Modelling dissolution, transport, and permeation processes of drug molecules

点击翻译按钮获取中文摘要

Successful drug discovery and delivery crucially rely on the interplay of several crucial physical, chemical, and biological processes. For example, how drug molecules dissolve, transport, absorb into the body actively change the drug concentrations and effects at various digestive stages. In this project, we will employ a novel Computational Fluid Dynamics approach considering both temporal and spatial dynamics of drug molecules during dissolution, transportation, and permeation processes from the initial oral administration to the absorption of the drug molecules. More accurate predictions of drug concentrations at various time and locations will be achieved. The method and expected results would help the initial screening of different molecules for targeted and effective drug treatments.****