Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer
Abstract Acrylamide (ACR) is a common food and environmental contaminant with potential carcinogenicity, but its molecular role in the development of breast cancer (BC) remains unclear. This study employed a network toxicology and molecular docking strategy to explore the potential association betwe...
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Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-025-06964-0 |
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| author | Zhaoda Duan Chunjiao Yu Wenjie Yang Wenhui Wang Qi Zhang Qiaoling Ruan Rui Zhang Yongfang Zhao Shan Yan |
| author_facet | Zhaoda Duan Chunjiao Yu Wenjie Yang Wenhui Wang Qi Zhang Qiaoling Ruan Rui Zhang Yongfang Zhao Shan Yan |
| author_sort | Zhaoda Duan |
| collection | DOAJ |
| description | Abstract Acrylamide (ACR) is a common food and environmental contaminant with potential carcinogenicity, but its molecular role in the development of breast cancer (BC) remains unclear. This study employed a network toxicology and molecular docking strategy to explore the potential association between ACR exposure and BC. Differentially expressed genes were first identified by comparing gene expression profiles between breast cancer and normal tissues. BC-related targets were then screened through integrated analysis of multiple databases and intersected with ACR-associated targets, resulting in 49 shared genes. Protein–protein interaction network construction and MCC algorithm analysis identified 10 core genes. GO and KEGG enrichment analyses revealed that these genes were mainly involved in pathways such as PI3K-Akt signaling, HIF-1 signaling, and ECM–receptor interactions. Molecular docking results suggested that ACR could bind to key targets including EGFR, FN1, JUN, and COL1A1. Molecular dynamics simulations demonstrated that the complexes remained structurally stable throughout the simulation. Pan-cancer and paired sample analyses further confirmed the aberrant expression of core genes in BC, and immunohistochemistry results supported their altered protein levels. These findings suggest that ACR may interfere with BC-related molecular mechanisms through multi-target and multi-pathway interactions, providing theoretical evidence for its potential carcinogenic role and future risk assessment. |
| format | Article |
| id | doaj-art-ec7df2d1e3f64ad7973c77ade6ae51de |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-ec7df2d1e3f64ad7973c77ade6ae51de2025-08-20T03:37:28ZengNature PortfolioScientific Reports2045-23222025-07-0115111310.1038/s41598-025-06964-0Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancerZhaoda Duan0Chunjiao Yu1Wenjie Yang2Wenhui Wang3Qi Zhang4Qiaoling Ruan5Rui Zhang6Yongfang Zhao7Shan Yan8Yunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityYunnan Key Laboratory of Breast Cancer Precision Medicine, Academy of Biomedical Engineering, Kunming Medical UniversityAbstract Acrylamide (ACR) is a common food and environmental contaminant with potential carcinogenicity, but its molecular role in the development of breast cancer (BC) remains unclear. This study employed a network toxicology and molecular docking strategy to explore the potential association between ACR exposure and BC. Differentially expressed genes were first identified by comparing gene expression profiles between breast cancer and normal tissues. BC-related targets were then screened through integrated analysis of multiple databases and intersected with ACR-associated targets, resulting in 49 shared genes. Protein–protein interaction network construction and MCC algorithm analysis identified 10 core genes. GO and KEGG enrichment analyses revealed that these genes were mainly involved in pathways such as PI3K-Akt signaling, HIF-1 signaling, and ECM–receptor interactions. Molecular docking results suggested that ACR could bind to key targets including EGFR, FN1, JUN, and COL1A1. Molecular dynamics simulations demonstrated that the complexes remained structurally stable throughout the simulation. Pan-cancer and paired sample analyses further confirmed the aberrant expression of core genes in BC, and immunohistochemistry results supported their altered protein levels. These findings suggest that ACR may interfere with BC-related molecular mechanisms through multi-target and multi-pathway interactions, providing theoretical evidence for its potential carcinogenic role and future risk assessment.https://doi.org/10.1038/s41598-025-06964-0Acrylamide exposureBreast cancerNetwork toxicologyMolecular docking |
| spellingShingle | Zhaoda Duan Chunjiao Yu Wenjie Yang Wenhui Wang Qi Zhang Qiaoling Ruan Rui Zhang Yongfang Zhao Shan Yan Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer Scientific Reports Acrylamide exposure Breast cancer Network toxicology Molecular docking |
| title | Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| title_full | Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| title_fullStr | Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| title_full_unstemmed | Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| title_short | Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| title_sort | network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer |
| topic | Acrylamide exposure Breast cancer Network toxicology Molecular docking |
| url | https://doi.org/10.1038/s41598-025-06964-0 |
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