Atomistic studies of functional mechanisms used by human membrane transporter proteins

Purpose and goal

The purpose of this research project is to further our understanding of how human chloride ion channels and transporters work. One specific goal is to explain and visualize the molecular mechanisms by which human chloride ion channels are inactivated by specific inhibitor molecules. Together with our collaborators we have achieved this goal; specific molecules have been synthesised, their activity has been quantified and the molecular mechanisms have been modelled.

Expected results and effects

Our results show that our preliminary assumptions regarding how inhibition is achieved are correct. We have managed to narrow down the search for a specific binding site to a few amino acid residues in the two human proteins we have studied.

Planned approach and implementation

We have focused on theoretical aspects of the studies, while our collaborators have focused on experimental aspects. The research groups have engaged together in solving research problems and partitioned the work in order to reach the scientific goals of the studies.