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Assessing the role of bisphenol A in female reproductive can-cers using network toxicology and molecular dynamics

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Mendeley Data2026-04-09 收录
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https://data.mendeley.com/datasets/j4jf497chs/1
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Bisphenol A (BPA)—a prevalent environmental contaminant commonly found in plas-tics—has potential adverse effects on human health. Despite its widespread use, the toxi-cological mechanisms of BPA in gynecological cancers remain unclear. This study aimed to investigate the potential role of BPA in cervical, endometrial, and ovarian cancers using network toxicology, molecular docking, and molecular dynamics simulations. We identi-fied 683 potential targets of BPA, as well as 496, 207, and 344 overlapping genes associat-ed with cervical, endometrial, and ovarian cancers, respectively. The key genes CXCL8 and MMP9 were consistently upregulated in all three cancers. Molecular docking analysis revealed significant binding affinities of BPA to CXCL8 (˗6.5 kcal/mol) and MMP9 (˗8.5 kcal/mol). Molecular dynamics simulations further confirmed the stability of these inter-actions, indicating that BPA may promote the development and progression of gyneco-logical tumors through these targets. The regulation of CXCL8 and MMP9 expression by BPA was also demonstrated by RT-PCR and Western blot assays. This study highlights the utility of network toxicology in understanding the mechanisms of environmental pol-lutants and emphasizes the need for further investigations into the effects of BPA expo-sure.
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