✦ LIBER ✦

On the sweetness properties of aldoses: characterization of molecular active sites by computer simulation

✍ Scribed by Eduardo I. Howard; J. Raul Grigera

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 704 KB
Volume: 282
Category: Article
ISSN: 0008-6215
DOI: 10.1016/0008-6215(95)00368-1

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✦ Synopsis

We have analyzed the conformation and hydration of fl-D-glucopyranose, /3-D-galactopyranose, and a-and /3-D-mannopyranose, using molecular dynamics simulation. We have focused on the properties of atoms that participate in structures that stimulate the sweetness receptor. From the assignment of the possible molecular centers in the ligand acting as stimuli for a sweet and bitter taste, it was concluded that no hydrophobic G site is active in the aldohexoses studied. The possible participation of a proton donor XH site to explain the bitter taste of fl-D-mannopyranose is also proposed.

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