Abstract Title:

The effect of fucoidan on tyrosinase: computational molecular dynamics integrating inhibition kinetics.

Abstract Source:

J Biomol Struct Dyn. 2012 ;30(4):460-73. Epub 2012 Jun 12. PMID: 22694253

Abstract Author(s):

Zhi-Jiang Wang, Yue-Xiu Si, Sangho Oh, Jun-Mo Yang, Shang-Jun Yin, Yong-Doo Park, Jinhyuk Lee, Guo-Ying Qian

Article Affiliation:

College of Biological and Environmental Sciences, Zhejiang Wanli University, Ningbo, 315100, P.R. China.

Abstract:

Fucoidan is a complex sulfated polysaccharide extracted from brown seaweed and has a wide variety of biological activities. In this study, we investigated the inhibitory effect of fucoidan on tyrosinase via a combination of inhibition kinetics and computational simulations. Fucoidan reversibly inhibited tyrosinase in a mixed-type manner. Time-interval kinetics showed that the inhibition was processed as first order with biphasic processes. For further insight, we simulated dockings with various sizes of molecular models (monomer to decamer) of fucoidan and showed that the best binding energy change results were obtained from the pentamer (-1.89 kcal/mol) and the hexamer (-1.97 kcal/mol) models of AutoDock Vina. The molecular dynamics simulation confirmed the binding mechanisms between tyrosinase and fucoidan and suggested that fucoidan mostly interacts with several residues including copper ions located in the active site. Our study suggests that fucoidan might be a potential natural antipigment agent.

Study Type : In Vitro Study

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