Assessment of the Binding Patterns for Endocrine Disrupting Chemicals in Complex with Estrogen and Androgen Receptors by Leveraging the Asclepios Enalos KNIME Nodes.

ABSTRACT: Endocrine disrupting chemicals (EDCs) have been shown to mediate metabolic disruptions in human cells and have been associated with severe adverse health effects. By antagonizing the hormones that act on nuclear hormone receptors, like the estrogen receptor α (ERα) and the androgen receptor (AR), these chemicals disrupt the regulation of various biochemical processes, thereby adversely affecting metabolic homeostasis. The expression of estrogen and androgen receptors in the liver and pancreas, which play an important role in lipid and glucose homeostasis regulation, has made them prime targets affected by EDCs. The different chemical structures of EDCs impose limitations on elucidating their binding mechanisms in nuclear receptors. In this context, in silico tools are able to highli

SUBMITTER: Tzoupis H 

PROVIDER: S-EPMC12606622 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature