Mechanistic modeling of peptide drug permeability

Research scientist: Rosita Kneiszl, MSc
Principal investigator: Associate Professor Per Larsson, Department of Pharmacy, Uppsala University

Scientific and industrial context: The most common administration route of approved peptide drugs is by parenteral injection, which is often both costly and painful to the patients. Oral administration of these drugs would therefore be beneficial, but is associated with a number of issues related to low permeability and bioavailability.

Aim: To use computational modeling and simulation to investigate the influence of peptide drug formulation components (such as medium chain fatty acids) on intestinal membranes, as well as to quantify and characterize binding and transport of peptide drugs across lipid bilayers.

Outcome: An in silico protocol to calculate permeation rates for peptide drugs across intestinal membranes, to support the development and design of rational formulations for peptide drugs.