Title : Protonation state effects of estrogen receptor α on the recognition mechanisms by perfluorooctanoic acid and perfluorooctane sulfonate: A computational study.

Pub. Date : 2019 Apr 30

PMID : 30658300






4 Functional Relationships(s)
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1 Protonation state effects of estrogen receptor alpha on the recognition mechanisms by perfluorooctanoic acid and perfluorooctane sulfonate: A computational study. perfluorooctane sulfonic acid estrogen receptor 1 Homo sapiens
2 Numerous studies demonstrated that PFOA and PFOS could interfere with the transcriptional activation of estrogen receptor alpha (ERalpha) by mimicking the function of endogenous ligand, whereas some reports suggested that the two compounds present non-estrogenic activities. perfluorooctane sulfonic acid estrogen receptor 1 Homo sapiens
3 Numerous studies demonstrated that PFOA and PFOS could interfere with the transcriptional activation of estrogen receptor alpha (ERalpha) by mimicking the function of endogenous ligand, whereas some reports suggested that the two compounds present non-estrogenic activities. perfluorooctane sulfonic acid estrogen receptor 1 Homo sapiens
4 To address this issue, we performed the molecular docking and molecular dynamics simulations to elaborate the structural characteristics for the binding of PFOA and PFOS to ERalpha. perfluorooctane sulfonic acid estrogen receptor 1 Homo sapiens