Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod

The solubilizing effect of β-cyclodextrin on fingolimod, a new generation immunosuppressant, is studied for the first time. A possible 20× increase in solubility fingolimod due to penetration hydrophobic fragment drug molecule into macrocyclic cavity cyclodextrin shown. Data driven 1H NMR spectroscopy and computer modeling suggest configuration resulting inclusion complexes. constant complex’s stability its energy complexation are calculated, formation hydrogen bonds between considered.