Structural Characterization of the Binding Interactions of Various Endogenous Estrogen Metabolites with Human Estrogen Receptor α and β Subtypes: A Molecular Modeling Study

Pan Wang; Campbell McInnes; Bao Ting Zhu

doi:10.1371/journal.pone.0074615

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Open Access

Peer-reviewed

Research Article

Structural Characterization of the Binding Interactions of Various Endogenous Estrogen Metabolites with Human Estrogen Receptor α and β Subtypes: A Molecular Modeling Study

Pan Wang,

Affiliation Institute of Zoology, Chinese Academy of Sciences, Beijing, P.R. China
⨯
Campbell McInnes,

Affiliation Department of Drug Discovery and Biomedical Sciences, South Carolina College of Pharmacy, University of South Carolina, Columbia, South Carolina, United States of America
⨯
Bao Ting Zhu

* E-mail: BTZhu@kumc.edu

Affiliations Department of Pharmacology, Toxicology and Therapeutics, School of Medicine, University of Kansas Medical Center, Kansas City, Kansas, United States of America, Department of Biology, South University of Science and Technology of China, Shenzhen, China
⨯

Structural Characterization of the Binding Interactions of Various Endogenous Estrogen Metabolites with Human Estrogen Receptor α and β Subtypes: A Molecular Modeling Study

Pan Wang,
Campbell McInnes,
Bao Ting Zhu

Published: September 30, 2013
https://doi.org/10.1371/journal.pone.0074615

About the Authors

Pan Wang

Affiliation Institute of Zoology, Chinese Academy of Sciences, Beijing, P.R. China

Campbell McInnes

Affiliation Department of Drug Discovery and Biomedical Sciences, South Carolina College of Pharmacy, University of South Carolina, Columbia, South Carolina, United States of America

Bao Ting Zhu

* E-mail: BTZhu@kumc.edu

Affiliations Department of Pharmacology, Toxicology and Therapeutics, School of Medicine, University of Kansas Medical Center, Kansas City, Kansas, United States of America, Department of Biology, South University of Science and Technology of China, Shenzhen, China

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: PW BTZ. Performed the experiments: PW BTZ. Analyzed the data: PW BTZ. Contributed reagents/materials/analysis tools: PW CM BTZ. Wrote the paper: PW CM BTZ.

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Hydrogen bonding
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Crystal structure
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Estrogens
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Molecular docking
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Protein structure databases
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Hydrogen
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Molecular structure
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Binding analysis
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