NMR Studies of the Inclusion Complex of Cloprostenol Sodium Salt with β-cyclodextrin in Aqueous Solution
作者： Hyun Suk Whang , Franck A. P. Vendeix , Hanna S. Gracz , John Gadsby , Alan Tonelli
DOI: 10.1007/S11095-007-9493-Z
关键词:
摘要: Cloprostenol sodium salt (referred as cloprostenol) may be used for the synchronization of estrous cycles in farm animal species. Cyclodextrins (CDs) have potential drug delivery systems through formation inclusion complexes between CDs and drugs. This is first study complex cloprostenol with β-cyclodextrin (β-CD) aqueous solution using NMR 3D molecular dynamics simulations. 1D proton spectra β-CD, a D2O were assigned confirmed. The cross relaxation interactions from ROESY constraints modeling studies. In 2D complex, cross-peaks observed aromatic protons β-CD well aliphatic β-CD. stoichiometry was found that forms 1:1 cloprostenol. association constant K 968 ± 120 M−1 at 298 K. Aromatic side and/or chains included while wraps around respectively. also confirms
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