Combined NMR-crystallographic and modelling investigation of the inclusion of molsidomine into alpha-, beta- and gamma-cyclodextrins.
A NMR spectroscopic and crystallographic investigation supported by molecular modelling methods has been employed to describe the inclusion properties of molsidomine into the three underivatized alpha-, beta- and gamma-cyclodextrins, aimed to point out the factors affecting the complexation selectivity and stabilization. The NMR results were compared and validated by the analysis of crystallographic data as retrieved from the Cambridge Structural Database and molecular modelling studies.
Uccello-Barretta
Gloria
G
Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Pisa, Italy.
Balzano
Federica
F
Paolino
Donatella
D
Ciaccio
Rebecca
R
Guccione
Salvatore
S
D018360:Crystallography, X-Ray; D016208:Databases, Factual; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D008981:Molsidomine / Q000737:chemistry*; D047391:alpha-Cyclodextrins / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*; D047408:gamma-Cyclodextrins / Q000737:chemistry*
D047391:alpha-Cyclodextrins; D047392:beta-Cyclodextrins; D047408:gamma-Cyclodextrins; D008981:Molsidomine