Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers.
Gu C, Cai J, Fan X, Bian Y, Yang X, Xia Q, Sun C, Jiang X.
Gu C, et al.
Chemosphere. 2020 Jun;249:126554. doi: 10.1016/j.chemosphere.2020.126554. Epub 2020 Mar 18.
Chemosphere. 2020.
PMID: 32213394
For AhR binding, the offset or edge-on pi-pi stackings with aromatic motifs including Phe289, Phe345 and His285 were shown to be structurally required whereas the electrostatic attraction validated for AhR binding to dioxins might be less effective for 2,2',3 …
For AhR binding, the offset or edge-on pi-pi stackings with aromatic motifs including Phe289, Phe345 and His285 were shown to be structurall …