A Prediction of Drug Transport, Distribution, and Absorption Through a Multicompartmental Physiologically Based Pharmacokinetic Model

The objective of this study was to develop a multicompartmental physiologically based pharmacokinetic (PBPK) model that allows for the reproduction of the function of the gastrointestinal system in silico. Based on the typical tools of chemical engineering, transport phenomena, and human physiological and anatomical knowledge, the developed model is not limited to representing the transport of drugs and their interactions with ingested foods but also describes several physiological aspects that quantitatively regulate the distribution, absorption, and elimination of drugs. Nevertheless, the model only contains a limited number of parameters: the permeability constants of jejunum, ileum, and colon membranes and the drug removal rates in both the blood and cellular compartments. Therefore, it can be used for a preliminary drug bioavailability assessment in the early stages of drug development when limited experimental data are available. The model was tested on two drugs, Ketoprofen and Ibuprofen, which yielded satisfactory results in accordance with the existing literature.