Frustrated water in molecular recognition
The ability to achieve strong and selective molecular recognition in water is fundamental to chemical science and to applications of chemistry in biology and medicine. Devising general strategies for the molecular recognition of any molecule or ion is a dream that would open many scientific avenues, and this is the key objective of this proposal. This research suggested in this proposal will explore two different approaches, where exceptionally strong binding supramolecular systems will be achieved upon binding of guest molecules to hydrophobic macrocycles with barrel-shaped geometries, that are internally solvated with so-called frustrated water molecules. The release of the frustrated water molecules upon replacement with a guest molecules will be the main driving force of binding. One approach is based on molecular design, and the second approach is based on designing chemical systems that evolve, similar to an evolutionary approach, to identify stongly binding molecules.
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Imported from OpenAIRE | Grant NNF24OC0090256.
Open sourceOverview
Grant agreement NNF24OC0090256
Open sourceThe ability to achieve strong and selective molecular recognition in water is fundamental to chemical science and to applications of chemistry in biology and medicine. Devising general strategies for the molecular recognition of any molecule or ion is a dream that would open many scientific avenues, and this is the key objective of this proposal. This research suggested in this proposal will explore two different approaches, where exceptionally strong binding supramolecular systems will be achieved upon binding of guest molecules to hydrophobic macrocycles with barrel-shaped geometries, that are internally solvated with so-called frustrated water molecules. The release of the frustrated water molecules upon replacement with a guest molecules will be the main driving force of binding. One approach is based on molecular design, and the second approach is based on designing chemical systems that evolve, similar to an evolutionary approach, to identify stongly binding molecules.