title: 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.
abstract: 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.
authors.affiliation: Department of Pharmaceutical Sciences 'Pietro Pratesi', Faculty of Pharmacy, University of Milan, Italy. giangiacomo.beretta@unimi.it
authors.forename: Giangiacomo
authors.initials: G
authors.lastname: Beretta
authors.forename: Roberto
authors.initials: R
authors.lastname: Artali
authors.forename: Enrico
authors.initials: E
authors.lastname: Caneva
authors.forename: Roberto
authors.initials: R
authors.lastname: Maffei Facino
mesh_terms: D047348:Hydrolyzable Tannins / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008954:Models, Biological; D008962:Models, Theoretical; D015394:Molecular Structure; D010743:Phospholipids / Q000737:chemistry*
chemical_list: D047348:Hydrolyzable Tannins; D008051:Lipid Bilayers; D010743:Phospholipids; C435084:pentagalloylglucose