Binding of caffeine by a synthetic co-receptor

Tetrahedron Letters

Volumn 41, Issue 20, 2000, Pages 3849-3853

  Ballester, Pablo ^a   Angel Barceló, Miquel ^a   Costa, Antoni ^a   Deyà, Pere M ^a   Morey, Jeroni ^a   Orell, Maria ^a   Hunter, Christopher A ^b  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Cyclophanes; Hydrogen bonding; Macrocycles; Molecular recognition

Indexed keywords

CAFFEINE; CYCLOPHANE; MACROCYCLIC COMPOUND; RECEPTOR;

ARTICLE; BINDING SITE; CHEMICAL ANALYSIS; CHEMICAL BINDING; HYDROGEN BOND; MOLECULAR RECOGNITION; PROTON NUCLEAR MAGNETIC RESONANCE; RECEPTOR BINDING;

EID: 0343618782     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(00)00506-2     Document Type: Article

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14. +=1477.
15. +=1988.
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20. -1).
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23. a is probably lower than might be expected for a chelate, but molecular modelling using the MMFF force field implemented in Macromodel reveals that the 4·7 complex is very strained, and that only five hydrogen bonds are established.