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Molecular Modeling of Saccharides, Part V.

Computersimulation of Chemical and Biological Properties of Sucrose, the Cyclodextrins and Amylose

Frieder W. Lichtenthaler and Stefan Immel

Int. Sugar J. 1995, 97, 12-22.

Computer-aided modeling of the conformations, the molecular electrostatic potential (MEP), and the molecular lipophilicity potential (MLP) profiles are presented for sucrose, fructose, non-carbohydrate sweeteners, cyclodextrins, and the amylose portion of starch. The visualization of their MEP and MLP patterns on the solvent-accessible surface in color-coded form provides novel insights into the molecular architecture of these molecules, their chemical properties (e.g. acidity of OH groups), and receptor interactions in eliciting biological responses such as sweetness.

Additional Graphics: Sucrose / Cyclodextrins / Polysaccharides

© Copyright PD Dr. S. Immel