Graphical abstract Representation of the complex between ABZ (cyan) and Me-β-CD (yellow) obtained by molecular docking (1:1 stoichiometry). Surfaces colored in yellow and cyan represent solvent accessible surfaces for Me-β-CD and ABZ, respectively. Views from the outside larger cavity of Me-β-CD (A and C), lateral view of ABZ/Me-β-CD inclusion complex (B), view from the narrow side of the Me-β-CD cavity (D) and detailed view highlighting the two hydrogen bonds observed between Me-β-CD and ABZ (E).
