3 years ago

Increased Conformational Flexibility of a Macrocycle–Receptor Complex Contributes to Reduced Dissociation Rates

Increased Conformational Flexibility of a Macrocycle–Receptor Complex Contributes to Reduced Dissociation Rates
Christoph Rademacher, Dennis M. Krüger, Adrian Glas, Tom N. Grossmann, Eike-Christian Wamhoff
State-of-the-art isothermal titration calorimetry, 19F NMR spectroscopy and molecular dynamics simulations reveal unexpected differences in the binding kinetics of closely related macrocycles. Most strikingly, increased flexibility of the bound macrocycle correlates with elongated receptor residence time. These findings highlight the potential of loop-like peptide epitopes as starting point for macrocyclic peptidomimetics. More information can be found in the Communication by C. Rademacher, T. N. Grossmann et al. (DOI: 10.1002/chem.201702776).

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201704109

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