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A Docking Modelling Rationally Predicts Strong Binding of Bisphenol A to Estrogen-Related Receptor γ

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A computer-aided docking study was carried out to quickly clarify the binding structure of the ligand-receptor complex between bisphenol A (BPA), a well-known endocrine disruptor, and estrogen-related receptor γ (ERRγ). The resulting complex indicated that BPA binds to the ligand-binding pocket of ERRγ without any disruptions of the activation conformation.

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Keywords: Estrogen-related receptor γ; bisphenol A; docking calculation; endocrine disruptors

Document Type: Research Article

Publication date: March 1, 2008

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  • Protein & Peptide Letters publishes short papers in all important aspects of protein and peptide research, including structural studies, recombinant expression, function, synthesis, enzymology, immunology, molecular modeling, drug design etc. Manuscripts must have a significant element of novelty, timeliness and urgency that merit rapid publication. Reports of crystallisation, and preliminary structure determinations of biologically important proteins are acceptable. Purely theoretical papers are also acceptable provided they provide new insight into the principles of protein/peptide structure and function.
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