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Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies

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Application of Computational Techniques in Pharmacy and Medicine

Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 17))

Abstract

Polyphenol glycosides are potential compounds in the kidney stones therapy. Experimental data indicate the formation of glycoside complexes with calcium ions. Theoretical studies support experimental finding in elucidating the structures of studied complexes. DFT methods constitutes reasonable approach to investigate the strength and structural properties these complexes. The extraction of main structural factors responsible for complexing activity allows to design new ligands for calcium ions, being helpful in the kidney stones treatment.

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Acknowledgments

This work was supported by the statutory activity subsidy from Polish Ministry of Science and Technology of Higher Education for the Faculty of Chemistry of Wroclaw University of Technology. The computations were performed in Wroclaw Supercomputing and Networking Center.

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Authors and Affiliations

  1. Organic and Pharmaceutical Technology Group, Chemistry Department, Wrocław University of Technology (WUT), Wyb. Wyspiańskiego str. 27, 51-370, Wrocław, Poland

    D. Toczek, E. Klepacz & R. Gancarz

  2. Institute of Physical and Theoretical Chemistry, Wrocław University of Technology (WUT), Wyb. Wyspiańskiego str. 27, 51-370, Wrocław, Poland

    S. Roszak

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  1. D. Toczek
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  2. E. Klepacz
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  3. S. Roszak
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Correspondence to D. Toczek .

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Editors and Affiliations

  1. Department of Molecular Biophysics, Laboratory of Computational Structural Biology, Kiev, Ukraine

    Leonid Gorb

  2. Department of Molecular Structure and Chemoinformatics, A.V. Bogatsky Physical-Chemical Institute, National Academy of Sciences of Ukraine, Odessa, Ukraine

    Victor Kuz'min

  3. Department of Chemical Biology and Medicinal Chemistry, University of North Carolina, Laboratory for Molecular Modeling, Chapel Hill, North Carolina, USA

    Eugene Muratov

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Toczek, D., Klepacz, E., Roszak, S., Gancarz, R. (2014). Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies. In: Gorb, L., Kuz'min, V., Muratov, E. (eds) Application of Computational Techniques in Pharmacy and Medicine. Challenges and Advances in Computational Chemistry and Physics, vol 17. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-9257-8_9

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