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

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.