title: Molecular docking studies and anti-tyrosinase activity of Thai mango seed kernel extract.
abstract: The alcoholic extract from seed kernels of Thai mango (Mangifera indica L. cv. 'Fahlun') (Anacardiaceae) and its major phenolic principle (pentagalloylglucopyranose) exhibited potent, dose-dependent inhibitory effects on tyrosinase with respect to L-DOPA. Molecular docking studies revealed that the binding orientations of the phenolic principles were in the tyrosinase binding pocket and their orientations were located in the hydrophobic binding pocket surrounding the binuclear copper active site. The results indicated a possible mechanism for their anti-tyrosinase activity which may involve an ability to chelate the copper atoms which are required for the catalytic activity of tyrosinase.
authors.affiliation: Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand. saruth_pipe@yahoo.com
authors.forename: Saruth
authors.initials: S
authors.lastname: Nithitanakool
authors.forename: Pimolpan
authors.initials: P
authors.lastname: Pithayanukul
authors.forename: Rapepol
authors.initials: R
authors.lastname: Bavovada
authors.forename: Patchreenart
authors.initials: P
authors.lastname: Saparpakorn
mesh_terms: D000363:Agaricales / Q000201:enzymology; D001665:Binding Sites; D003300:Copper / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D047348:Hydrolyzable Tannins / Q000737:chemistry / Q000494:pharmacology*; D007980:Levodopa / Q000494:pharmacology; D031022:Mangifera / Q000737:chemistry*; D014442:Monophenol Monooxygenase / Q000037:antagonists & inhibitors*; D010936:Plant Extracts / Q000737:chemistry / Q000494:pharmacology; D011487:Protein Conformation; D012639:Seeds / Q000737:chemistry*
chemical_list: D004791:Enzyme Inhibitors; D047348:Hydrolyzable Tannins; D010936:Plant Extracts; C435084:pentagalloylglucose; D007980:Levodopa; D003300:Copper; D014442:Monophenol Monooxygenase