Conformation of the tridimensional structure of 1,2,3,4,6‐pentagalloyl‐β‐D‐glucopyranose (PGG) by  1 H NMR, NOESY and theoretical study and membrane interaction in a simulated phospholipid bilayer: a first insight | Zendy

Beretta Giangiacomo | Zendy; Artali Roberto | Zendy; Caneva Enrico | Zendy; Maffei Facino Roberto | Zendy

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Conformation of the tridimensional structure of 1,2,3,4,6‐pentagalloyl‐β‐D‐glucopyranose (PGG) by 1 H NMR, NOESY and theoretical study and membrane interaction in a simulated phospholipid bilayer: a first insight

Author(s) -

Beretta Giangiacomo,

Artali Roberto,

Caneva Enrico,

Maffei Facino Roberto

Publication year - 2011

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.2718

Subject(s) - chemistry , phospholipid , bilayer , lipid bilayer , membrane , stereochemistry , two dimensional nuclear magnetic resonance spectroscopy , molecular dynamics , crystallography , computational chemistry , biochemistry

1,2,3,4,6‐Penta‐ O ‐galloyl‐β‐ D ‐glucopyranose (PGG) is a polyphenolic compound found in substantial amounts in a number of medicinal herbs. We report (i) its conformational analysis by solution NMR and molecular dynamics calculation and (ii) theoretical study of its interaction with a model membrane bilayer. The galloyl groups B and E appear to play important roles in the interaction with the phospholipid bilayer. Copyright © 2011 John Wiley & Sons, Ltd.

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