Computational Molecular Modeling Studies of the Interactions of Estrogens with Their Receptors and Intracellular Estrogen Binding Protein PDIp

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Issue Date
2010-09-27Author
Wang, Pan
Publisher
University of Kansas
Format
199 pages
Type
Dissertation
Degree Level
Ph.D.
Discipline
Pharmacology, Toxicology & Therapeutics
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This item is protected by copyright and unless otherwise specified the copyright of this thesis/dissertation is held by the author.
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Show full item recordAbstract
The endogenous estrogens are vitally-important female sex hormones with diverse biological functions. Disruption of their actions contributes to the pathogenesis of a number of disease states in humans, such as endocrine disruption, infertility, and development of cancers. My dissertation research sought to explore the potential usefulness of computational molecular modeling tools in studying the interactions of various estrogen derivatives (e.g., endogenous estrogen metabolites, non-aromatic steroids, and synthetic antiestrogens) with human ERs as well as a recently-identified intracellular estrogen-binding protein. The results of my dissertation projects offer important insights into the three-dimensional structural characteristics of the binding interactions of various estrogen analogs with the human ERs and PDIp. These studies provide a platform for the future development of an automated docking-based computational approach that can screen numerous environmental compounds for their potential ability to bind to human ERs as well as other estrogen binding proteins in the body.
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- Dissertations [4454]
- Pharmacy Dissertations and Theses [118]
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