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Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking

BACKGROUND: Danhong injection (DHI), which is one of the most well-known Traditional Chinese Medicine (TCM) injections, widely used to treat unstable angina (UA). However, its underlying pharmacological mechanisms need to be further clarified. METHODS: In the present study, network pharmacology was...

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Autores principales: Guo, Siyu, Wu, Jiarui, Zhou, Wei, Liu, Xinkui, Zhang, Jingyuan, Jia, Shanshan, Meng, Ziqi, Liu, Shuyu, Ni, Mengwei, Liu, Yingying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7076845/
https://www.ncbi.nlm.nih.gov/pubmed/32122353
http://dx.doi.org/10.1186/s12906-020-2853-5
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author Guo, Siyu
Wu, Jiarui
Zhou, Wei
Liu, Xinkui
Zhang, Jingyuan
Jia, Shanshan
Meng, Ziqi
Liu, Shuyu
Ni, Mengwei
Liu, Yingying
author_facet Guo, Siyu
Wu, Jiarui
Zhou, Wei
Liu, Xinkui
Zhang, Jingyuan
Jia, Shanshan
Meng, Ziqi
Liu, Shuyu
Ni, Mengwei
Liu, Yingying
author_sort Guo, Siyu
collection PubMed
description BACKGROUND: Danhong injection (DHI), which is one of the most well-known Traditional Chinese Medicine (TCM) injections, widely used to treat unstable angina (UA). However, its underlying pharmacological mechanisms need to be further clarified. METHODS: In the present study, network pharmacology was adopted. Firstly, the relative compounds were obtained by a wide-scaled literatures-mining and potential targets of these compounds by target fishing were collected. Then, we built the UA target database by DisGeNET, DigSee, TTD, OMIM. Based on data, protein-protein interaction (PPI) analysis, GO and KEGG pathway enrichment analysis were performed and screen the hub targets by topology. Furthermore, evaluation of the binding potential of key targets and compounds through molecular docking. RESULTS: The results showed that 12 ingredients of DHI and 27 putative known therapeutic targets were picked out. By systematic analysis, identified 4 hub targets (TNF, TLR4, NFKB1 and SERPINE1) mainly involved in the complex treating effects associated with coagulation and hemostasis, cell membrane region, platelet alpha granule, NF-kappa B signaling pathway and TNF signaling pathway. CONCLUSION: The results of this study preliminarily explained the potential targets and signaling pathways of DHI in the treatment of UA, which may help to laid a good foundation for experimental research and further clinical application.
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spelling pubmed-70768452020-03-19 Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking Guo, Siyu Wu, Jiarui Zhou, Wei Liu, Xinkui Zhang, Jingyuan Jia, Shanshan Meng, Ziqi Liu, Shuyu Ni, Mengwei Liu, Yingying BMC Complement Med Ther Research Article BACKGROUND: Danhong injection (DHI), which is one of the most well-known Traditional Chinese Medicine (TCM) injections, widely used to treat unstable angina (UA). However, its underlying pharmacological mechanisms need to be further clarified. METHODS: In the present study, network pharmacology was adopted. Firstly, the relative compounds were obtained by a wide-scaled literatures-mining and potential targets of these compounds by target fishing were collected. Then, we built the UA target database by DisGeNET, DigSee, TTD, OMIM. Based on data, protein-protein interaction (PPI) analysis, GO and KEGG pathway enrichment analysis were performed and screen the hub targets by topology. Furthermore, evaluation of the binding potential of key targets and compounds through molecular docking. RESULTS: The results showed that 12 ingredients of DHI and 27 putative known therapeutic targets were picked out. By systematic analysis, identified 4 hub targets (TNF, TLR4, NFKB1 and SERPINE1) mainly involved in the complex treating effects associated with coagulation and hemostasis, cell membrane region, platelet alpha granule, NF-kappa B signaling pathway and TNF signaling pathway. CONCLUSION: The results of this study preliminarily explained the potential targets and signaling pathways of DHI in the treatment of UA, which may help to laid a good foundation for experimental research and further clinical application. BioMed Central 2020-03-02 /pmc/articles/PMC7076845/ /pubmed/32122353 http://dx.doi.org/10.1186/s12906-020-2853-5 Text en © The Author(s). 2020 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Research Article
Guo, Siyu
Wu, Jiarui
Zhou, Wei
Liu, Xinkui
Zhang, Jingyuan
Jia, Shanshan
Meng, Ziqi
Liu, Shuyu
Ni, Mengwei
Liu, Yingying
Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title_full Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title_fullStr Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title_full_unstemmed Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title_short Investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
title_sort investigating the multi-target pharmacological mechanism of danhong injection acting on unstable angina by combined network pharmacology and molecular docking
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7076845/
https://www.ncbi.nlm.nih.gov/pubmed/32122353
http://dx.doi.org/10.1186/s12906-020-2853-5
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