The escalating exposure to endocrine-disrupting chemicals (EDCs) in consumer products has raised significant concerns regarding their potential impacts on human health. This study aimed to elucidate the interaction mechanisms of key toxic chemicals with estrogen and androgen receptors, which are pivotal in the regulation of endocrine functions. Utilizing computational docking analyses, we evaluated the docking scores of various potential EDCs to identify those with the highest affinity for estrogen and androgen receptors. Among these, bisphenol A, genistein, and perfluorooctane sulfonic acid were selected for further investigation due to their high estrogen receptor affinity, prevalent use and established roles in endocrine disruption. Our findings reveal significant interactions between these chemicals and the receptors, suggesting potential mechanisms through which they could influence endocrine homeostasis. Moreover, we identified common genes and pathways associated with adrenal diseases and ovary diseases, which are often linked to endocrine disruption. These results underscore the critical need for regulatory scrutiny and further research into the health implications of chemicals those with high docking values to key hormonal receptors. Our study contributes to the growing body of evidence on the molecular underpinnings of chemical-induced endocrine disorders and highlights potential targets for risk assessment in the active components in consumer products.

Acknowledgements

This work was supported by Korea Environment Industry & Technology Institute (KEITI) through Technology Development Project for Safety Management of Household Chemical Products, funded by Korea Ministry of Environment (MOE) (RS-2023-00215856).