Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking

Background: Danshen (DS), the dry root of <i>Salvia miltiorrhiza</i> Bge., has been used in traditional Chinese medicine (TCM) for many years to promote blood circulation and to inhibit thrombosis. However, the active ingredients responsible for the anti-thrombotic effect and the underly...

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Autores principales:	Huilan Tang, Ningyi Qin, Chang Rao, Jiahui Zhu, Haiqiang Wang, Guang Hu
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	zebrafish molecular docking salvianolic acid B rosmarinic acid lithospermic acid luteolin-7-O-β-<span style="font-variant: small-caps">d</span>-glucoside Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/46d2e56d96ad46159264dfa319022845
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spelling	oai:doaj.org-article:46d2e56d96ad46159264dfa3190228452021-11-25T18:27:24ZScreening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking10.3390/molecules262268071420-3049https://doaj.org/article/46d2e56d96ad46159264dfa3190228452021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6807https://doaj.org/toc/1420-3049Background: Danshen (DS), the dry root of <i>Salvia miltiorrhiza</i> Bge., has been used in traditional Chinese medicine (TCM) for many years to promote blood circulation and to inhibit thrombosis. However, the active ingredients responsible for the anti-thrombotic effect and the underlying mechanisms are yet to be fully elucidated. Methods: Molecular docking was used to predict the active ingredients in DS and their potential targets by calculating the scores of docking between DS ingredients and thrombosis-related proteins. Then, a chemical-induced zebrafish thrombosis model was applied to confirm their anti-thrombotic effects. Result: The molecular docking results indicated that compared to the control ligand, higher docking scores were observed for several compounds in DS, among which salvianolic acid B (SAB), lithospermic acid (LA), rosmarinic acid (MA), and luteolin-7-O-β-<span style="font-variant: small-caps;">d</span>-glucoside (LG) could attenuate zebrafish caudal vein thrombosis and recover the decrease in heart red blood cells (RBCs) in a dose-dependent manner. Conclusions: Our study showed that it is possible to screen the potential active components in natural products by combining the molecular docking method and zebrafish in vivo model.Huilan TangNingyi QinChang RaoJiahui ZhuHaiqiang WangGuang HuMDPI AGarticlezebrafishmolecular dockingsalvianolic acid Brosmarinic acidlithospermic acidluteolin-7-O-β-<span style="font-variant: small-caps">d</span>-glucosideOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6807, p 6807 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	zebrafish molecular docking salvianolic acid B rosmarinic acid lithospermic acid luteolin-7-O-β-<span style="font-variant: small-caps">d</span>-glucoside Organic chemistry QD241-441
spellingShingle	zebrafish molecular docking salvianolic acid B rosmarinic acid lithospermic acid luteolin-7-O-β-<span style="font-variant: small-caps">d</span>-glucoside Organic chemistry QD241-441 Huilan Tang Ningyi Qin Chang Rao Jiahui Zhu Haiqiang Wang Guang Hu Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
description	Background: Danshen (DS), the dry root of <i>Salvia miltiorrhiza</i> Bge., has been used in traditional Chinese medicine (TCM) for many years to promote blood circulation and to inhibit thrombosis. However, the active ingredients responsible for the anti-thrombotic effect and the underlying mechanisms are yet to be fully elucidated. Methods: Molecular docking was used to predict the active ingredients in DS and their potential targets by calculating the scores of docking between DS ingredients and thrombosis-related proteins. Then, a chemical-induced zebrafish thrombosis model was applied to confirm their anti-thrombotic effects. Result: The molecular docking results indicated that compared to the control ligand, higher docking scores were observed for several compounds in DS, among which salvianolic acid B (SAB), lithospermic acid (LA), rosmarinic acid (MA), and luteolin-7-O-β-<span style="font-variant: small-caps;">d</span>-glucoside (LG) could attenuate zebrafish caudal vein thrombosis and recover the decrease in heart red blood cells (RBCs) in a dose-dependent manner. Conclusions: Our study showed that it is possible to screen the potential active components in natural products by combining the molecular docking method and zebrafish in vivo model.
format	article
author	Huilan Tang Ningyi Qin Chang Rao Jiahui Zhu Haiqiang Wang Guang Hu
author_facet	Huilan Tang Ningyi Qin Chang Rao Jiahui Zhu Haiqiang Wang Guang Hu
author_sort	Huilan Tang
title	Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
title_short	Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
title_full	Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
title_fullStr	Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
title_full_unstemmed	Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking
title_sort	screening of potential anti-thrombotic ingredients from <i>salvia miltiorrhiza</i> in zebrafish and by molecular docking
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/46d2e56d96ad46159264dfa319022845
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Screening of Potential Anti-Thrombotic Ingredients from <i>Salvia miltiorrhiza</i> in Zebrafish and by Molecular Docking

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