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Project grant
Title [sv]
Paramagnetisk märkning av ligander, ett nytt molekylärt verktyg i kemi och biologi
Title [en]
PARAMAGNETIC LIGAND TAGGING, A NEW TOOL IN CHEMISTRY AND BIOLOGY
Abstract [en]
The chief aim of this project is to develop an exceptionally sensitive technique for detection and characterization of weak interactions in solution, in chemical and biological contexts. To achieve this, we will synthesize a paramagnetic reporter tool that can be attached to virtually any types of compounds, and that induces long range (~40 Å) observables in NMR spectroscopy. The measurement of these observables will provide detailed structural information with a hundred times higher sensitivity than conventional techniques.To demonstrate its scope, the technique will first be applied for systematic characterization of halogen bonds in solutions. We will develop a new scale of halogen bond strength based on paramagnetic NMR, and investigate the influence of solvent on halogen bond strength. We will also study multi-point halogen bonded complexes, as models for molecular recognition processes in living and catalytic systems.Next, we will replace the DNA-tag of pharmaceutical hits identified by DNA-encoded library technology with a paramagnetic tag, and facilitate their progression into lead compounds by identification of their protein binding site and binding mode. Halogenated hits will be given preference, to gain additional information on halogen bonds in biological contexts.We will provide a widely applicable new tool for chemistry and biology with the potential to open new horizons for academic and industrial research.
Principal InvestigatorErdelyi, Mate
Coordinating organisation
Uppsala University
Funder
Period
2017-01-01 － 2020-12-31
National Category
Organic ChemistryStructural BiologyMedicinal Chemistry
Identifiers
DiVA, id: project:5692Project, id: 2016-03602_VR

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Organic ChemistryStructural BiologyMedicinal Chemistry

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