I have broad scientific interests within various applications of NMR spectroscopy, from small molecules to proteins. Structure/activity relationship studies are of particular interest (x-filtered transfer experiments, hydration, relaxation, dynamics).
I have been working with NMR since 1998, using both Bruker and Varian/Agilent equipment. Working experience includes structure determinations of Nucleic acids and Proteins, structure verification/elucidation of small molecules in pharmaceutical industry and natural products from bioprospecting as well small molecules interaction with proteins and liposomes.
Small synthetic anti-microbial peptides (SAMPs). There are ongoing studies of the basic properties of SAMPs in liposomes. Their mechanism of action is of particular interest and NMR data is combined with Molecular Dynamics simulations in lipid bilayers, in collaboration with Bjørn Olav Brandsdal, CTCC, Tromsø. Project completed.
Anti-microbial/anti-cancer peptides. Studies of the somewhat larger synthetic peptides in collaboration with Morten Strøm, IFA, Tromsø University are ongoing. Work has so far involved liposome interaction and HSA binding studies. Project completed.
dUTPase. Human dUTPase, which is relevant in cancer, tuberculosis and malaria, has been successfully assigned and its inherent dynamics in presence and absence of inhibitor is being studied by high field NMR. In collaboration with Tatiana Agback, Medivir AB, Stockholm, Patrik Lundström, Linköping University, Sweden and Peter Agback, SLU, Uppsala, Sweden.
MMP12. Protein hydration studies of MMP12 (metalloprotease) in collaboration with Tatiana Agback, Medivir AB, Stockholm, Sweden, and Helena Kovacs, Bruker Spectrospin, Fällanden, Switzerland. Project completed.
NBR1. Protein studies of the Ubiquitin binding domain and its regulation using NMR spectroscopy, in collaboration with the Terje Johansen, Tromsø University.
PKA/Au-kinases/ABL. Kinase inhibitor projects are in the start-up phase in collaboration with Richard Engh, Norstruct, Tromsø University and John S. Svendsen, Lytix Biopharma, Tromsø. Fragment screening and isotope labelling strategies are to be employed in search of new kinase inhibitors, and hits are characterized in terms of binding orientation.
Theoretic prediction of NMR parameters. In collaboration with Kenneth Ruud and Kathrin Hopmann, methods for accurately simulating chemical shifts near halogens and/or metals, and long-range coupling constants are employed to answer stuctural questions for small organic molecules.