Structure-Based Design of Ligands for Vitamin Transporters in Bacteria
Structure-based design and synthesis of inhibitors of anti-infective targets, such as the enzyme DXS and energy-coupling factor transporters, taking advantage of dynamic combinatorial chemistry.
We have recently reported the first inhibitors of two important anti-infective targets: DXS and the energy-coupling transporter ThiT for thiamine. During the ALERT program, we will adopt structure-based drug design in combination with dynamic combinatorial chemistry to further optimise the initial hits into lead compounds. We will focus on improving the potency as well as other drug-like properties such as water solubility and selectivity. From an early stage, we will also monitor how the compounds perform in cell-based assays.
Department: Chemical Biology, RUG
Principal investigator(s): Prof. Dr. Anna K. H. Hirsch