An Improved Understanding of Bisphosphonates Through Computational Techniques
Sanders, John
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Permalink
https://hdl.handle.net/2142/84201
Description
Title
An Improved Understanding of Bisphosphonates Through Computational Techniques
Author(s)
Sanders, John
Issue Date
2005
Doctoral Committee Chair(s)
Oldfield, Eric
Department of Study
Chemistry
Discipline
Chemistry
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Chemistry, Pharmaceutical
Language
eng
Abstract
A number of bisphosphonates are currently used to treat human bone resorption disorders. In recent years, these compounds have been shown to have additional biological properties, such as the ability to inhibit the growth of parasite cells and the ability to stimulate human gammadelta T cells. We have used computational techniques, such as CoMSIA and pharmacophore modeling, together with experimental data, to explain these secondary activities. In addition, this work has led to the discovery of new, highly-potent bisphosphonates, which could be useful in the treatment of human bone resorption diseases, parasitic diseases, and in the immunotherapeutic treatment of some diseases, such as cancer.
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