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Molecular baskets form inclusion complexes with phenethylamine drugs in water.

Tyler J FinneganChristopher MortensenJovica D Badjić
Published in: Chemical communications (Cambridge, England) (2024)
Molecular basket 1 6- comprising a nonpolar cavity and an anionic nest of six carboxylates at its rim was found to form inclusion complexes with (1 R , 2 S )-ephedrine, (1 R , 2 R )-pseudoephedrine, and (1 S , 2 R )-tranylcypromine. Experimental results (NMR) and theory (MM/DFT) suggest the basket encapsulates phenethylamines in unique and predictable fashion.
Keyphrases
  • magnetic resonance
  • high resolution
  • single molecule
  • molecular docking
  • crystal structure