Investigation of oral absorption of macromolecules using in silico techniques

Research scientist: Shakhawath Hossain, Researcher
Principal investigator: Professor Christel Bergström, Department of Pharmacy, Uppsala University

Aim: The primary aim of this research project is to improve the understanding of oral absorption of macromolecule using in silico modelling techniques e.g. molecular dynamics (MD). Much of the research focus was to explore the interaction of permeability enhancers (PEs) with different components of intestinal fluids and cell membrane in order to understand different PEs ability to enhance the permeability of macromolecules across the cell membrane. The interaction of macromolecules is also important for the development of an effective formulation. Therefore, the aggregation behavior of different peptide molecules is also studied in this project using the MD simulations.