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Effect of hydroxysafflor yellow A on tyrosinase: Integration of inhibition kinetics with computational simulation

Paper ID Volume ID Publish Year Pages File Format Full-Text
34204 45010 2015 9 PDF Available
Title
Effect of hydroxysafflor yellow A on tyrosinase: Integration of inhibition kinetics with computational simulation
Abstract

•The hydroxysafflor yellow A (HSYA) binding mechanisms to tyrosinase.•HSYA is a potent whitening agent via inhibition of tyrosinase.•Computational molecular dynamics simulations between tyrosinase and HSYA.•The HSYA-mediated structural change of tyrosinase synchronized with the loss of catalytic function.

Hydroxysafflor yellow A (HSYA) is found in the flower of Carthamus tinctorius. We evaluated the effects of hydroxysafflor yellow A (HSYA) on tyrosinase kinetics and computationally simulated the interaction between HSYA and tyrosinase. HSYA was found to be a mixed-type, reversible inhibitor of tyrosinase, with a Ki of 0.285 ± 0.040 mM. Kinetic measurements of intrinsic and ANS-binding fluorescence showed that HSYA induced changes in the tertiary structure of tyrosinase. HSYA showed a relatively strong binding affinity for tyrosinase and one possible binding site was identified. To gain further insight into the HSYA/tyrosinase interaction, we performed computational docking and molecular dynamics simulations. These experiments indicated that HSYA can interact with several residues near the tyrosinase active site. Our study provides insight into the mechanism by which chalcone compounds such as flavonoids inhibit tyrosinase. Since HSYA inhibits tyrosinase and is also an antioxidant, HSYA is a potential natural antipigmentation agent.

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Keywords
l-DOPA, 3,4-dihydroxyphenylalanine; HSYA, hydroxysafflor yellow A; ANS, 1-anilinonaphthalene-8-sulfonate; MD, molecular dynamicsTyrosinase; Hydroxysafflor yellow A; Inhibition kinetics; Docking simulation; Molecular dynamics
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Effect of hydroxysafflor yellow A on tyrosinase: Integration of inhibition kinetics with computational simulation
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Publisher
Database: Elsevier - ScienceDirect
Journal: Process Biochemistry - Volume 50, Issue 12, December 2015, Pages 2112–2120
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us