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Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking
Li, Qiao-Qiao1; Yang, Yu-Xiu1; Qv, Jing-Wen2; Hu, Guang3; Hu, Yuan-Jia2; Xia, Zhi-Ning1; Yang, Feng-Qing1
2018
Source PublicationJOURNAL OF ANALYTICAL METHODS IN CHEMISTRY
ISSN2090-8865
Volume2018
Abstract

Thrombin plays a vital role in blood coagulation, which is a key process involved in thrombosis by promoting platelet aggregation and converting fibrinogen to form the fibrin clot. In the receptor concept, drugs produce their therapeutic effects via interactions with the targets. Therefore, investigation of interaction between thrombin and small molecules is important to find out the potential thrombin inhibitor. In this study, affinity capillary electrophoresis (ACE) and in silico molecular docking methods were developed to study the interaction between thrombin and ten phenolic compounds (p-hydroxybenzoic acid, protocatechuic acid, vanillic acid, gallic acid, catechin, epicatechin, dihydroquercetin, naringenin, apigenin, and baicalein). The ACE results showed that gallic acids and six flavonoid compounds had relative strong interactions with thrombin. In addition, the docking results indicated that all of optimal conformations of the six flavonoid compounds were positioned into the thrombin activity centre and had interaction with the HIS57 or SER195 which was the key residue to bind thrombin inhibitors such as argatroban. Herein, these six flavonoid compounds might have the potential of thrombin inhibition activity. In addition, the developed method in this study can be further applied to study the interactions of other molecules with thrombin.

DOI10.1155/2018/4707609
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Engineering
WOS SubjectChemistry, Analytical ; Engineering, Civil
WOS IDWOS:000428900300001
PublisherHINDAWI LTD
The Source to ArticleWOS
Fulltext Access
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Cited Times [WOS]:6   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorHu, Yuan-Jia; Yang, Feng-Qing
Affiliation1.School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China
2.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
3.School of Pharmacy and Bioengineering, Chongqing University of Technology, Chongqing 400054, China
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Li, Qiao-Qiao,Yang, Yu-Xiu,Qv, Jing-Wen,et al. Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking[J]. JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY,2018,2018.
APA Li, Qiao-Qiao.,Yang, Yu-Xiu.,Qv, Jing-Wen.,Hu, Guang.,Hu, Yuan-Jia.,...&Yang, Feng-Qing.(2018).Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking.JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY,2018.
MLA Li, Qiao-Qiao,et al."Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking".JOURNAL OF ANALYTICAL METHODS IN CHEMISTRY 2018(2018).
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