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.
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 / G. Beretta, R. Artali, E. Caneva, R. Maffei Facino. - In: MAGNETIC RESONANCE IN CHEMISTRY. - ISSN 0749-1581. - 49:3(2011 Mar), pp. 132-136.
Titolo: | 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 |
Autori: | BERETTA, GIANGIACOMO (Primo) CANEVA, ENRICO (Penultimo) MAFFEI FACINO, ROBERTO (Ultimo) |
Parole Chiave: | 1,2,3,4,6-pentagalloyl-β-D-glucopyranose; conformation; molecular modeling; NMR |
Settore Scientifico Disciplinare: | Settore CHIM/08 - Chimica Farmaceutica |
Data di pubblicazione: | mar-2011 |
Rivista: | |
Tipologia: | Article (author) |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1002/mrc.2718 |
Appare nelle tipologie: | 01 - Articolo su periodico |