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Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking
As a progressive chronic disease, the effective treatment for non‐alcoholic fibre liver disease (NAFLD) has not yet been thoroughly explored at the moment. The widespread use of Gynostemma pentaphyllum (Thunb) for its anti‐insulin resistance effect indicates that potential therapeutic value may be f...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9258700/ https://www.ncbi.nlm.nih.gov/pubmed/35665440 http://dx.doi.org/10.1111/jcmm.17410 |
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author | Wang, Cunzhi Wang, Pengrui Chen, Wenbin Bai, Yanyan |
author_facet | Wang, Cunzhi Wang, Pengrui Chen, Wenbin Bai, Yanyan |
author_sort | Wang, Cunzhi |
collection | PubMed |
description | As a progressive chronic disease, the effective treatment for non‐alcoholic fibre liver disease (NAFLD) has not yet been thoroughly explored at the moment. The widespread use of Gynostemma pentaphyllum (Thunb) for its anti‐insulin resistance effect indicates that potential therapeutic value may be found in Thunb for NAFLD. Hence, this research aims to discover the latent mechanism of Thunb for NAFLD treatment. To achieve the goal of discovering the latent mechanism of Thunb for NAFLD treatment, molecular docking strategy integrated a network phamacology was adopted in the exploration. We acquire Thunb compounds with activeness from TCMSP database. We collect the putative targets of Thunb and NAFLD to generate the network. Key targets and mechanism are screened by PPI analysis, GO and KEGG pathway enrichment analyses. Molecular docking simulation is introduced into the study as assessment method. Through network analysis and virtual screening based on molecular docking, 2 targets (AKT 1 and GSK3B) are identified as key therapeutic targets with satisfying binding affinity. Main mechanism is believed to be the biological process and pathway related to insulin resistance according to the enrichment analyses outcomes. Particularly, the P13K–AKT signalling pathway is recognized as a key pathway of the mechanism. In conclusion, the study shows that Thunb could be a potential treatment against NAFLD and may suppress insulin resistance through the P13K–AKT signalling pathway. The result of the exploration provides a novel perspective for approaching experimental exploration. |
format | Online Article Text |
id | pubmed-9258700 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-92587002022-07-11 Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking Wang, Cunzhi Wang, Pengrui Chen, Wenbin Bai, Yanyan J Cell Mol Med Original Articles As a progressive chronic disease, the effective treatment for non‐alcoholic fibre liver disease (NAFLD) has not yet been thoroughly explored at the moment. The widespread use of Gynostemma pentaphyllum (Thunb) for its anti‐insulin resistance effect indicates that potential therapeutic value may be found in Thunb for NAFLD. Hence, this research aims to discover the latent mechanism of Thunb for NAFLD treatment. To achieve the goal of discovering the latent mechanism of Thunb for NAFLD treatment, molecular docking strategy integrated a network phamacology was adopted in the exploration. We acquire Thunb compounds with activeness from TCMSP database. We collect the putative targets of Thunb and NAFLD to generate the network. Key targets and mechanism are screened by PPI analysis, GO and KEGG pathway enrichment analyses. Molecular docking simulation is introduced into the study as assessment method. Through network analysis and virtual screening based on molecular docking, 2 targets (AKT 1 and GSK3B) are identified as key therapeutic targets with satisfying binding affinity. Main mechanism is believed to be the biological process and pathway related to insulin resistance according to the enrichment analyses outcomes. Particularly, the P13K–AKT signalling pathway is recognized as a key pathway of the mechanism. In conclusion, the study shows that Thunb could be a potential treatment against NAFLD and may suppress insulin resistance through the P13K–AKT signalling pathway. The result of the exploration provides a novel perspective for approaching experimental exploration. John Wiley and Sons Inc. 2022-06-03 2022-07 /pmc/articles/PMC9258700/ /pubmed/35665440 http://dx.doi.org/10.1111/jcmm.17410 Text en © 2022 The Authors. Journal of Cellular and Molecular Medicine published by Foundation for Cellular and Molecular Medicine and John Wiley & Sons Ltd. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Original Articles Wang, Cunzhi Wang, Pengrui Chen, Wenbin Bai, Yanyan Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title | Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title_full | Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title_fullStr | Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title_full_unstemmed | Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title_short | Mechanisms of Gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
title_sort | mechanisms of gynostemma pentaphyllum against non‐alcoholic fibre liver disease based on network pharmacology and molecular docking |
topic | Original Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9258700/ https://www.ncbi.nlm.nih.gov/pubmed/35665440 http://dx.doi.org/10.1111/jcmm.17410 |
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