Solvent interactions with β-Cyclodextrin as observed in crystal structures

Damodharan, L. ; Pattabhi, Vasantha ; Nagarajan, K. (2004) Solvent interactions with β-Cyclodextrin as observed in crystal structures Molecular Crystals and Liquid Crystals, 423 (1). pp. 17-35. ISSN 1542-1406

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Official URL: http://www.tandfonline.com/doi/abs/10.1080/1542140...

Related URL: http://dx.doi.org/10.1080/15421400490502328

Abstract

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.

Item Type:Article
Source:Copyright of this article belongs to Taylor and Francis Group.
Keywords:β Cyclodextrin; Solvent Interactions with βCD; βCD Monomer Packing; Nimesulide β CD Complex; Hydration Pattern; Molecular Mechanics; Host-guest Interaction
ID Code:93202
Deposited On:13 Jun 2012 10:34
Last Modified:13 Jun 2012 10:34

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