Thouennon, Erwan;Delfosse, Vanessa;Bailly, Remy;Blanc, Pauline;Boulahtouf, Abdelhay;Grimaldi, Marina;Barducci, Alessandro;Bourguet, William;Balaguer, Patrick published 《Insights into the activation mechanism of human estrogen-related receptor γ by environmental endocrine disruptors》 in 2019. The article was appeared in 《Cellular and Molecular Life Sciences》. They have made some progress in their research.Computed Properties of C15H16O The article mentions the following:
The estrogen-related receptor γ (ERRγ, NR3B3) is a constitutively active nuclear receptor which has been proposed to act as a mediator of the low-dose effects of a number of environmental endocrine-disrupting chems. (EDCs) such as the xenoestrogen bisphenol-A (BPA). To better characterize the ability of exogenous compounds to bind and activate ERRγ, we used a combination of cell-based, biochem., structural and computational approaches. A purposely created stable cell line allowed for the determination of the EC50s for over 30 environmental ERRγ ligands, including previously unknown ones. Interestingly, affinity constants (Kds) of the most potent compounds measured by isothermal titrationcalorimetry were in the 50-500 nM range, in agreement with their receptor activation potencies. Crystallog. anal. of the interaction between the ERRγ ligand-binding domain (LBD) and compounds of the bisphenol, alkylphenol and naphthol families revealed a partially shared binding mode and minimal alterations of the receptor conformation upon ligand binding. Further biophys. characterizations coupled to mol. dynamics simulations suggested a mechanism through which ERRγ ligands would exhibit their agonistic properties by preserving the transcriptionally active form of the receptor while rigidifying some loop regions with associated functions. This unique mechanism contrasts with the classical one involving a ligand-induced repositioning and stabilization of the C-terminal activation helix H12. The experimental procedure involved many compounds, such as 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .
4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Computed Properties of C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.
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