Title : Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers.

Pub. Date : 2020 Jun

PMID : 32213394






2 Functional Relationships(s)
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1 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",3,4,4"-pentabromodiphenyl ether (BDE-85). Dioxins aryl hydrocarbon receptor Homo sapiens
2 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",3,4,4"-pentabromodiphenyl ether (BDE-85). Dioxins aryl hydrocarbon receptor Homo sapiens