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Screening and Characterizing Tyrosinase Inhibitors from Salvia miltiorrhiza and Carthamus tinctorius by Spectrum-Effect Relationship Analysis and Molecular Docking
Wang, Ya-Li1,2; Hu, Guang1; Zhang, Qian2; Yang, Yu-Xiu2; Li, Qiao-Qiao2; Hu, Yuan-Jia3; Chen, Hua2; Yang, Feng-Qing2
2018
Source PublicationJOURNAL OF ANALYTICAL METHODS IN CHEMISTRY
ISSN2090-8865
Volume2018
Abstract

Tyrosinase (TYR) is a rate-limiting enzyme in the synthesis of melanin, while direct TYR inhibitors are a class of important clinical antimelanoma drugs. 'this study established a spectrum-effect relationship analysis method and high-performance liquid chromatography-mass spectrometry (LC-MS) analysis method to screen and identify the active ingredients that inhibited TYR in Salvia miltiorrhiza-Carthamus tinctorius (Danshen-Honghua, DH) herbal pair. Seventeen potential active compounds (peaks) in the extract of DH herbal pair were predicted, and thirteen of them were tentatively identified by LC-MS analysis. Furthermore, TYR inhibitory activities of five pure compounds obtained from the DH herbal pair were validated in the test in which kojic acid served as a positive control drug. Among them, three compounds including protocatechuic aldehyde, hydroxysafflor yellow A, and tanshinone HA were verified to have high 'I'YR inhibitory activity (1050 value of 455, 498, and 1214 mu M, resp.) and bind to the same amino acid residues in TYR catalytic pocket according to the results of the molecular docking test. However, the other two compounds lithospermic acid and salvianolic acid A had a weak effect on TYR, as they do not combine with the active amino acid residues or act on the active center of TYR. Therefore, the developed methods (spectrum-effect relationship analysis and molecular docking) could be used to effectively screen TYR inhibitors in complex mixtures such as natural products.

DOI10.1155/2018/2141389
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Engineering
WOS SubjectChemistry, Analytical ; Engineering, Civil
WOS IDWOS:000432774100001
PublisherHINDAWI LTD
The Source to ArticleWOS
Fulltext Access
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Cited Times [WOS]:1   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorHu, Guang; Yang, Feng-Qing
Affiliation1.School of Pharmacy and Bioengineering, Chongqing University of Technology, Chongqing 400054, China
2.School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China
3.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau
Recommended Citation
GB/T 7714
Wang, Ya-Li,Hu, Guang,Zhang, Qian,et al. Screening and Characterizing Tyrosinase Inhibitors from Salvia miltiorrhiza and Carthamus tinctorius by Spectrum-Effect Relationship Analysis and Molecular Docking[J]. JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY,2018,2018.
APA Wang, Ya-Li.,Hu, Guang.,Zhang, Qian.,Yang, Yu-Xiu.,Li, Qiao-Qiao.,...&Yang, Feng-Qing.(2018).Screening and Characterizing Tyrosinase Inhibitors from Salvia miltiorrhiza and Carthamus tinctorius by Spectrum-Effect Relationship Analysis and Molecular Docking.JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY,2018.
MLA Wang, Ya-Li,et al."Screening and Characterizing Tyrosinase Inhibitors from Salvia miltiorrhiza and Carthamus tinctorius by Spectrum-Effect Relationship Analysis and Molecular Docking".JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY 2018(2018).
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