Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking
Growing evidence suggests that perfluorinated compounds (PFCs) contribute to reproductive toxicity, with perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) being the most extensively studied. These chemicals are known to lower testosterone levels and compromise the integrity of the b...
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| Language: | English |
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Elsevier
2024-10-01
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| Series: | Heliyon |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844024154503 |
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| author | Liang Chen Shanshan Liang Jiaxin Li Qian Li Qingwen Sun |
| author_facet | Liang Chen Shanshan Liang Jiaxin Li Qian Li Qingwen Sun |
| author_sort | Liang Chen |
| collection | DOAJ |
| description | Growing evidence suggests that perfluorinated compounds (PFCs) contribute to reproductive toxicity, with perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) being the most extensively studied. These chemicals are known to lower testosterone levels and compromise the integrity of the blood-testis barrier. However, the specific mechanisms of their reproductive toxicity remain largely unknown due to research limitations. In this study, we utilized network pharmacology to pinpoint the core genes and signaling pathways implicated in the reproductive toxicity caused by PFOA and PFOS. Molecular docking was employed to validate the interactions between these compounds and their targets. Key targets identified include CCL2, CXCR4, RPS27A, RPL5, PSMA7, and PSMC1, which are crucial in mediating reproductive toxicity. These genes are primarily involved in the chemokine signaling pathway, viral protein interactions with cytokines and cytokine receptors, and ribosomal functions. This study underscores the effectiveness of combining network toxicology and molecular docking to analyze the toxicity and molecular mechanisms of mixed environmental pollutants. |
| format | Article |
| id | doaj-art-c7ceb2705e1e44eaafc9475f4d36cc97 |
| institution | Kabale University |
| issn | 2405-8440 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj-art-c7ceb2705e1e44eaafc9475f4d36cc972024-11-12T05:20:39ZengElsevierHeliyon2405-84402024-10-011020e39419Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular dockingLiang Chen0Shanshan Liang1Jiaxin Li2Qian Li3Qingwen Sun4School of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou, 550025, ChinaSchool of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou, 550025, ChinaSchool of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou, 550025, ChinaSchool of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou, 550025, ChinaCorresponding author. Guizhou University of Traditional Chinese Medicine, 4 Dongqing South Road, Guiyang, 550025, China.; School of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou, 550025, ChinaGrowing evidence suggests that perfluorinated compounds (PFCs) contribute to reproductive toxicity, with perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) being the most extensively studied. These chemicals are known to lower testosterone levels and compromise the integrity of the blood-testis barrier. However, the specific mechanisms of their reproductive toxicity remain largely unknown due to research limitations. In this study, we utilized network pharmacology to pinpoint the core genes and signaling pathways implicated in the reproductive toxicity caused by PFOA and PFOS. Molecular docking was employed to validate the interactions between these compounds and their targets. Key targets identified include CCL2, CXCR4, RPS27A, RPL5, PSMA7, and PSMC1, which are crucial in mediating reproductive toxicity. These genes are primarily involved in the chemokine signaling pathway, viral protein interactions with cytokines and cytokine receptors, and ribosomal functions. This study underscores the effectiveness of combining network toxicology and molecular docking to analyze the toxicity and molecular mechanisms of mixed environmental pollutants.http://www.sciencedirect.com/science/article/pii/S2405844024154503Perfluorooctanoic acidPerfluorooctane sulfonateNetwork pharmacologyMolecular dockingReproductive toxicity |
| spellingShingle | Liang Chen Shanshan Liang Jiaxin Li Qian Li Qingwen Sun Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking Heliyon Perfluorooctanoic acid Perfluorooctane sulfonate Network pharmacology Molecular docking Reproductive toxicity |
| title | Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking |
| title_full | Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking |
| title_fullStr | Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking |
| title_full_unstemmed | Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking |
| title_short | Analyzing the impact of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) on the reproductive system using network toxicology and molecular docking |
| title_sort | analyzing the impact of perfluorooctanoic acid pfoa and perfluorooctane sulfonate pfos on the reproductive system using network toxicology and molecular docking |
| topic | Perfluorooctanoic acid Perfluorooctane sulfonate Network pharmacology Molecular docking Reproductive toxicity |
| url | http://www.sciencedirect.com/science/article/pii/S2405844024154503 |
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