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Multivalent Pseudorotaxanes: Cooperative Binding and Synthesis of Multiply Interlocked Rotaxanes

Multivalent binding plays a crucial role in many biochemical processes, for example virus docking to a cell. To understand multivalency, cooperative binding and the role of the nature of the spacer connecting the binding sites, di- and trivalent pseudorotaxanes are investigated. As synthetic molecules can be adjusted and designed with respect to many parameters, a systematic investigation is possible.

The Schalley group uses crown ether/secondary ammonium as well as amide pseudorotaxanes for these studies. Detailed analysis of the thermochemistry by applying the double mutant cycle concept allows determining chelate cooperativity and thus provides a more detailed understanding of the underlying binding processes.

Crystal structure of a divalent crown/ammonium pseudorotaxane displaying positively cooperative binding due to favorable spacer-spacer interactions


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