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Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking

BACKGROUND: Shanmei Capsule is a famous preparation in China. However, the related mechanism of Shanmei Capsule against hyperlipidemia has yet to be revealed. OBJECTIVE: To elucidate underlying mechanism of Shanmei Capsule against hyperlipidemia through network pharmacology approach and molecular do...

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Autores principales: Wang, Qian, Du, Lijing, Hong, Jiana, Chen, Zhenlin, Liu, Huijian, Li, Shasha, Xiao, Xue, Yan, Shikai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: IOS Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8150495/
https://www.ncbi.nlm.nih.gov/pubmed/33682762
http://dx.doi.org/10.3233/THC-218023
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author Wang, Qian
Du, Lijing
Hong, Jiana
Chen, Zhenlin
Liu, Huijian
Li, Shasha
Xiao, Xue
Yan, Shikai
author_facet Wang, Qian
Du, Lijing
Hong, Jiana
Chen, Zhenlin
Liu, Huijian
Li, Shasha
Xiao, Xue
Yan, Shikai
author_sort Wang, Qian
collection PubMed
description BACKGROUND: Shanmei Capsule is a famous preparation in China. However, the related mechanism of Shanmei Capsule against hyperlipidemia has yet to be revealed. OBJECTIVE: To elucidate underlying mechanism of Shanmei Capsule against hyperlipidemia through network pharmacology approach and molecular docking. METHODS: Active ingredients, targets of Shanmei Capsule as well as targets for hyperlipidemia were screened based on database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were performed via Database for Annotation, Visualization, and Integrated Discovery (DAVID) 6.8 database. Ingredient-target-disease-pathway network was visualized utilizing Cytoscape software and molecular docking was performed by Autodock Vina. RESULTS: Seventeen active ingredients in Shanmei Capsule were screened out with a closely connection with 34 hyperlipidemia-related targets. GO analysis revealed 40 biological processes, 5 cellular components and 29 molecular functions. A total of 15 signal pathways were enriched by KEGG pathway enrichment analysis. The docking results indicated that the binding activities of key ingredients for PPAR- [Formula: see text] are equivalent to that of the positive drug lifibrate. CONCLUSIONS: The possible molecular mechanism mainly involved PPAR signaling pathway, Bile secretion and TNF signaling pathway via acting on MAPK8, PPAR [Formula: see text] , MMP9, PPAR [Formula: see text] , FABP4 and NOS2 targets.
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spelling pubmed-81504952021-06-09 Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking Wang, Qian Du, Lijing Hong, Jiana Chen, Zhenlin Liu, Huijian Li, Shasha Xiao, Xue Yan, Shikai Technol Health Care Research Article BACKGROUND: Shanmei Capsule is a famous preparation in China. However, the related mechanism of Shanmei Capsule against hyperlipidemia has yet to be revealed. OBJECTIVE: To elucidate underlying mechanism of Shanmei Capsule against hyperlipidemia through network pharmacology approach and molecular docking. METHODS: Active ingredients, targets of Shanmei Capsule as well as targets for hyperlipidemia were screened based on database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were performed via Database for Annotation, Visualization, and Integrated Discovery (DAVID) 6.8 database. Ingredient-target-disease-pathway network was visualized utilizing Cytoscape software and molecular docking was performed by Autodock Vina. RESULTS: Seventeen active ingredients in Shanmei Capsule were screened out with a closely connection with 34 hyperlipidemia-related targets. GO analysis revealed 40 biological processes, 5 cellular components and 29 molecular functions. A total of 15 signal pathways were enriched by KEGG pathway enrichment analysis. The docking results indicated that the binding activities of key ingredients for PPAR- [Formula: see text] are equivalent to that of the positive drug lifibrate. CONCLUSIONS: The possible molecular mechanism mainly involved PPAR signaling pathway, Bile secretion and TNF signaling pathway via acting on MAPK8, PPAR [Formula: see text] , MMP9, PPAR [Formula: see text] , FABP4 and NOS2 targets. IOS Press 2021-03-25 /pmc/articles/PMC8150495/ /pubmed/33682762 http://dx.doi.org/10.3233/THC-218023 Text en © 2021 – The authors. Published by IOS Press. https://creativecommons.org/licenses/by-nc/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial (CC BY-NC 4.0) License (https://creativecommons.org/licenses/by-nc/4.0/) , which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Wang, Qian
Du, Lijing
Hong, Jiana
Chen, Zhenlin
Liu, Huijian
Li, Shasha
Xiao, Xue
Yan, Shikai
Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title_full Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title_fullStr Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title_full_unstemmed Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title_short Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking
title_sort molecular mechanism underlying the hypolipidemic effect of shanmei capsule based on network pharmacology and molecular docking
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8150495/
https://www.ncbi.nlm.nih.gov/pubmed/33682762
http://dx.doi.org/10.3233/THC-218023
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