Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists.

ABSTRACT:

Background

Endocrine disrupting chemicals (EDCs) are exogenous compounds that interfere with the endocrine system of vertebrates, often through direct or indirect interactions with nuclear receptor proteins. Estrogen receptors (ERs) are particularly important protein targets and many EDCs are ER binders, capable of altering normal homeostatic transcription and signaling pathways. An estrogenic xenobiotic can bind ER as either an agonist or antagonist to increase or inhibit transcription, respectively. The receptor conformations in the complexes of ER bound with agonists and antagonists are different and dependent on interactions with co-regulator proteins that vary across tissue type. Assessment of chemical endocrine disruption potential depends not only on binding affinity to ERs,

SUBMITTER: Ng HW 

PROVIDER: S-EPMC4251048 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature