Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models

Abstract Research on direct targets of traditional Chinese medicine (TCM) is the key to study the mechanism and material basis of it, but there is still no effective methods at present. We took Compound Danshen dropping pills (CDDP) as a study case to establish a strategy to identify significant dir...

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Autores principales:	Tongxing Wang, Lu Liang, Chunlai Zhao, Jia Sun, Hairong Wang, Wenjia Wang, Jianping Lin, Yunhui Hu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a5ed2b781f924d37878436c945d42fbb
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spelling	oai:doaj.org-article:a5ed2b781f924d37878436c945d42fbb2021-12-02T16:51:39ZElucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models10.1038/s41598-021-89035-42045-2322https://doaj.org/article/a5ed2b781f924d37878436c945d42fbb2021-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-89035-4https://doaj.org/toc/2045-2322Abstract Research on direct targets of traditional Chinese medicine (TCM) is the key to study the mechanism and material basis of it, but there is still no effective methods at present. We took Compound Danshen dropping pills (CDDP) as a study case to establish a strategy to identify significant direct targets of TCM. As a result, thirty potential active kinase targets of CDDP were identified. Nine of them had potential dose-dependent effects. In addition, the direct inhibitory effect of CDDP on three kinases, AURKB, MET and PIM1 were observed both on biochemical level and cellular level, which could not only shed light on the mechanisms of action involved in CDDP, but also suggesting the potency of drug repositioning of CDDP. Our results indicated that the research strategy including both in silico models and experimental validation that we built, were relatively efficient and reliable for direct targets identification for TCM prescription, which will help elucidating the mechanisms of TCM and promoting the modernization of TCM.Tongxing WangLu LiangChunlai ZhaoJia SunHairong WangWenjia WangJianping LinYunhui HuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Tongxing Wang Lu Liang Chunlai Zhao Jia Sun Hairong Wang Wenjia Wang Jianping Lin Yunhui Hu Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
description	Abstract Research on direct targets of traditional Chinese medicine (TCM) is the key to study the mechanism and material basis of it, but there is still no effective methods at present. We took Compound Danshen dropping pills (CDDP) as a study case to establish a strategy to identify significant direct targets of TCM. As a result, thirty potential active kinase targets of CDDP were identified. Nine of them had potential dose-dependent effects. In addition, the direct inhibitory effect of CDDP on three kinases, AURKB, MET and PIM1 were observed both on biochemical level and cellular level, which could not only shed light on the mechanisms of action involved in CDDP, but also suggesting the potency of drug repositioning of CDDP. Our results indicated that the research strategy including both in silico models and experimental validation that we built, were relatively efficient and reliable for direct targets identification for TCM prescription, which will help elucidating the mechanisms of TCM and promoting the modernization of TCM.
format	article
author	Tongxing Wang Lu Liang Chunlai Zhao Jia Sun Hairong Wang Wenjia Wang Jianping Lin Yunhui Hu
author_facet	Tongxing Wang Lu Liang Chunlai Zhao Jia Sun Hairong Wang Wenjia Wang Jianping Lin Yunhui Hu
author_sort	Tongxing Wang
title	Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
title_short	Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
title_full	Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
title_fullStr	Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
title_full_unstemmed	Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
title_sort	elucidating direct kinase targets of compound danshen dropping pills employing archived data and prediction models
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/a5ed2b781f924d37878436c945d42fbb
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Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models

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