The Effect of D-(−)-arabinose on Tyrosinase : An Integrated Study Using Computational Simulation and Inhibition Kinetics
Joint Authors
Fan, Yong-Qiang
Yan, Li
Wang, Yu-Long
Zhou, Hai-Meng
Lee, Jinhyuk
Liu, Hong-Jian
Ji, Sunyoung
Yang, Jun-Mo
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-12-23
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
Tyrosinase is a ubiquitous enzyme with diverse physiologic roles related to pigment production.
Tyrosinase inhibition has been well studied for cosmetic, medicinal, and agricultural purposes.
We simulated the docking of tyrosinase and D-(−)-arabinose and found a binding energy of −4.5 kcal/mol for theup-formof D-(−)-arabinose and −4.4 kcal/mol for thedown-form of D-(−)-arabinose.
The results of molecular dynamics simulation suggested that D-(−)-arabinose interacts mostly with HIS85, HIS259, and HIS263, which are believed to be in the active site.
Our kinetic study showed that D-(−)-arabinose is a reversible, mixed-type inhibitor of tyrosinase (α-value =6.11±0.98, Ki=0.21±0.19 M).
Measurements of intrinsic fluorescence showed that D-(−)-arabinose induced obvious tertiary changes to tyrosinase (binding constant K=1.58±0.02 M−1, binding number n=1.49±0.06).
This strategy of predicting tyrosinase inhibition based on specific interactions of aldehyde and hydroxyl groups with the enzyme may prove useful for screening potential tyrosinase inhibitors.
American Psychological Association (APA)
Liu, Hong-Jian& Ji, Sunyoung& Fan, Yong-Qiang& Yan, Li& Yang, Jun-Mo& Zhou, Hai-Meng…[et al.]. 2012. The Effect of D-(−)-arabinose on Tyrosinase : An Integrated Study Using Computational Simulation and Inhibition Kinetics. Enzyme Research،Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-494208
Modern Language Association (MLA)
Liu, Hong-Jian…[et al.]. The Effect of D-(−)-arabinose on Tyrosinase : An Integrated Study Using Computational Simulation and Inhibition Kinetics. Enzyme Research No. 2012 (2012), pp.1-10.
https://search.emarefa.net/detail/BIM-494208
American Medical Association (AMA)
Liu, Hong-Jian& Ji, Sunyoung& Fan, Yong-Qiang& Yan, Li& Yang, Jun-Mo& Zhou, Hai-Meng…[et al.]. The Effect of D-(−)-arabinose on Tyrosinase : An Integrated Study Using Computational Simulation and Inhibition Kinetics. Enzyme Research. 2012. Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-494208
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-494208