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Solvent interactions with β-Cyclodextrin as observed in crystal structures

Nimesulide, an anti-inflammatory drug, was complexed with β cyclodextrin (βCD) in the presence of lysine in 10:10:1 molar ratio to increase its water solubility. The complexation did not take place in the crystal structure, but it exhibits two different crystal forms. The crystal structures show a difference in hydration pattern and conservation of the organic molecule 2,4 methyl pentane diol (MPD) binding site. Molecular mechanics studies carried out suggest a probable mode of binding of nimesulide with βCD.