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Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer

Breast cancer is a prevalent malignancy affecting women globally, characterized by significant morbidity and mortality rates. Ecliptae Herba is a traditional herbal medicine commonly used in clinical practice, has recently been found to possess antitumor properties. In order to explore the underlyin...

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Autores principales: Li, Hui, Shi, Wei, Shen, Tingming, Hui, Siwen, Hou, Manting, Wei, Ziying, Qin, Shuanglin, Bai, Zhaofang, Cao, Junling
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10578738/
https://www.ncbi.nlm.nih.gov/pubmed/37832105
http://dx.doi.org/10.1097/MD.0000000000035384
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author Li, Hui
Shi, Wei
Shen, Tingming
Hui, Siwen
Hou, Manting
Wei, Ziying
Qin, Shuanglin
Bai, Zhaofang
Cao, Junling
author_facet Li, Hui
Shi, Wei
Shen, Tingming
Hui, Siwen
Hou, Manting
Wei, Ziying
Qin, Shuanglin
Bai, Zhaofang
Cao, Junling
author_sort Li, Hui
collection PubMed
description Breast cancer is a prevalent malignancy affecting women globally, characterized by significant morbidity and mortality rates. Ecliptae Herba is a traditional herbal medicine commonly used in clinical practice, has recently been found to possess antitumor properties. In order to explore the underlying material basis and molecular mechanisms responsible for the anti-breast cancer effects of Ecliptae Herba, we used network pharmacology and experimental verification. UPLC-MS/MS was utilized to identify compounds present in Ecliptae Herba. The active components of Ecliptae Herba and its breast cancer targets were screened using public databases. Hub genes were identified using the STRING and Metascape database. The R software was utilized for visual analysis of GO and KEGG pathways. The affinity of the hub targets for the active ingredients was assessed by molecular docking analysis, which was verified by experimental assessment. A total of 178 targets were obtained from the 10 active components of Ecliptae Herba, while 3431 targets associated with breast cancer were screened. There were 144 intersecting targets between the components and the disease. Targets with a higher degree, namely EGFR and TGFB1, were identified through the hub subnetwork of PPI. GO and KEGG analyses revealed that Ecliptae Herba plays an important role in multiple cancer therapeutic mechanisms. Moreover, molecular docking results showed that the core components had good binding affinity with key targets. Finally, it was confirmed that TGF-β1 might be a potential crucial target of Ecliptae Herba in the treatment of breast cancer by cytological experiments, and the TGF-β1/Smad signaling pathway might be an important pathway for Ecliptae Herba to exert its therapeutic effects. This study elucidated the active ingredients, key targets, and molecular mechanisms of Ecliptae Herba in the treatment of breast cancer, providing a scientific foundation and therapeutic mechanism for the prevention and treatment of breast cancer with Traditional Chinese medicine.
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spelling pubmed-105787382023-10-17 Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer Li, Hui Shi, Wei Shen, Tingming Hui, Siwen Hou, Manting Wei, Ziying Qin, Shuanglin Bai, Zhaofang Cao, Junling Medicine (Baltimore) 5700 Breast cancer is a prevalent malignancy affecting women globally, characterized by significant morbidity and mortality rates. Ecliptae Herba is a traditional herbal medicine commonly used in clinical practice, has recently been found to possess antitumor properties. In order to explore the underlying material basis and molecular mechanisms responsible for the anti-breast cancer effects of Ecliptae Herba, we used network pharmacology and experimental verification. UPLC-MS/MS was utilized to identify compounds present in Ecliptae Herba. The active components of Ecliptae Herba and its breast cancer targets were screened using public databases. Hub genes were identified using the STRING and Metascape database. The R software was utilized for visual analysis of GO and KEGG pathways. The affinity of the hub targets for the active ingredients was assessed by molecular docking analysis, which was verified by experimental assessment. A total of 178 targets were obtained from the 10 active components of Ecliptae Herba, while 3431 targets associated with breast cancer were screened. There were 144 intersecting targets between the components and the disease. Targets with a higher degree, namely EGFR and TGFB1, were identified through the hub subnetwork of PPI. GO and KEGG analyses revealed that Ecliptae Herba plays an important role in multiple cancer therapeutic mechanisms. Moreover, molecular docking results showed that the core components had good binding affinity with key targets. Finally, it was confirmed that TGF-β1 might be a potential crucial target of Ecliptae Herba in the treatment of breast cancer by cytological experiments, and the TGF-β1/Smad signaling pathway might be an important pathway for Ecliptae Herba to exert its therapeutic effects. This study elucidated the active ingredients, key targets, and molecular mechanisms of Ecliptae Herba in the treatment of breast cancer, providing a scientific foundation and therapeutic mechanism for the prevention and treatment of breast cancer with Traditional Chinese medicine. Lippincott Williams & Wilkins 2023-10-13 /pmc/articles/PMC10578738/ /pubmed/37832105 http://dx.doi.org/10.1097/MD.0000000000035384 Text en Copyright © 2023 the Author(s). Published by Wolters Kluwer Health, Inc. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the Creative Commons Attribution License 4.0 (CCBY) (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle 5700
Li, Hui
Shi, Wei
Shen, Tingming
Hui, Siwen
Hou, Manting
Wei, Ziying
Qin, Shuanglin
Bai, Zhaofang
Cao, Junling
Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title_full Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title_fullStr Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title_full_unstemmed Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title_short Network pharmacology-based strategy for predicting therapy targets of Ecliptae Herba on breast cancer
title_sort network pharmacology-based strategy for predicting therapy targets of ecliptae herba on breast cancer
topic 5700
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10578738/
https://www.ncbi.nlm.nih.gov/pubmed/37832105
http://dx.doi.org/10.1097/MD.0000000000035384
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