Molecular docking studies and anti-tyrosinase activity of Thai mango seed kernel extract

Molecules. 2009 Jan 7;14(1):257-65. doi: 10.3390/molecules14010257.


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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Agaricales / enzymology
  • Binding Sites
  • Copper / chemistry
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology
  • Hydrolyzable Tannins / chemistry
  • Hydrolyzable Tannins / pharmacology*
  • Levodopa / pharmacology
  • Mangifera / chemistry*
  • Monophenol Monooxygenase / antagonists & inhibitors*
  • Plant Extracts / chemistry
  • Plant Extracts / pharmacology
  • Protein Conformation
  • Seeds / chemistry*


  • Enzyme Inhibitors
  • Hydrolyzable Tannins
  • Plant Extracts
  • pentagalloylglucose
  • Levodopa
  • Copper
  • Monophenol Monooxygenase