Inhibitory Effect of Phthalic Acid on Tyrosinase : The Mixed-Type Inhibition and Docking Simulations
Joint Authors
Qian, Guo-Ying
Yin, Shang-Jun
Si, Yue-Xiu
Source
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-05-23
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Tyrosinase inhibition studies are needed due to the medicinal applications such as hyperpigmentation.
For probing effective inhibitors of tyrosinase, a combination of computational prediction and enzymatic assay via kinetics was important.
We predicted the 3D structure of tyrosinase, used a docking algorithm to simulate binding between tyrosinase and phthalic acid (PA), and studied the reversible inhibition of tyrosinase by PA.
PA inhibited tyrosinase in a mixed-type manner with a Ki=65.84±1.10 mM.
Measurements of intrinsic and ANS-binding fluorescences showed that PA induced changes in the active site structure via indirect binding.
Simulation was successful (binding energies for Dock6.3=-27.22 and AutoDock4.2=-0.97 kcal/mol), suggesting that PA interacts with LEU73 residue that is predicted commonly by both programs.
The present study suggested that the strategy of predicting tyrosinase inhibition based on hydroxyl groups and orientation may prove useful for screening of potential tyrosinase inhibitors.
American Psychological Association (APA)
Yin, Shang-Jun& Si, Yue-Xiu& Qian, Guo-Ying. 2011. Inhibitory Effect of Phthalic Acid on Tyrosinase : The Mixed-Type Inhibition and Docking Simulations. Enzyme Research،Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-461161
Modern Language Association (MLA)
Yin, Shang-Jun…[et al.]. Inhibitory Effect of Phthalic Acid on Tyrosinase : The Mixed-Type Inhibition and Docking Simulations. Enzyme Research No. 2011 (2011), pp.1-7.
https://search.emarefa.net/detail/BIM-461161
American Medical Association (AMA)
Yin, Shang-Jun& Si, Yue-Xiu& Qian, Guo-Ying. Inhibitory Effect of Phthalic Acid on Tyrosinase : The Mixed-Type Inhibition and Docking Simulations. Enzyme Research. 2011. Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-461161
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-461161