271
Chapter 9
Polyphenol Glycosides as Potential Remedies in
Kidney Stones Therapy. Experimental Research
Supported by Computational Studies
D. Toczek, E. Klepacz, S. Roszak and R. Gancarz
© Springer Science+Business Media Dordrecht 2014
L. Gorb et al. (eds.), Application of Computational Techniques in Pharmacy and Medicine,
Challenges and Advances in Computational Chemistry and Physics 17,
DOI 10.1007/978-94-017-9257-8_9
D. Toczek () · E. Klepacz · R. Gancarz
Organic and Pharmaceutical Technology Group, Chemistry Department,
Wrocław University of Technology (WUT),
Wyb. Wyspiańskiego str. 27, Wrocław 51-370, Poland
e-mail: dariusz.toczek@pwr.wroc.pl
E. Klepacz
e-mail: ewa.klepacz@pwr.wroc.pl
R. Gancarz
e-mail: roman.gancarz@pwr.wroc.pl
S. Roszak
Institute of Physical and Theoretical Chemistry,
Wrocław University of Technology (WUT),
Wyb. Wyspiańskiego str. 27, Wrocław 51-370, Poland
e-mail: szczepan.roszak@pwr.wroc.pl
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.
9.1 Introduction
Calcium in human body is mostly deposited in skeleton and bones as calcium phosphate. The rest of calcium ions, about 1 % of the whole concentration, play many
important functions in the organism. The concentration of Ca
2 +
in blood controls
the proper functioning of heart and circulatory system [1]. The Ca
2 +
concentration
Chapter 9
Polyphenol Glycosides as Potential Remedies in
Kidney Stones Therapy. Experimental Research
Supported by Computational Studies
D. Toczek, E. Klepacz, S. Roszak and R. Gancarz
© Springer Science+Business Media Dordrecht 2014
L. Gorb et al. (eds.), Application of Computational Techniques in Pharmacy and Medicine,
Challenges and Advances in Computational Chemistry and Physics 17,
DOI 10.1007/978-94-017-9257-8_9
D. Toczek () · E. Klepacz · R. Gancarz
Organic and Pharmaceutical Technology Group, Chemistry Department,
Wrocław University of Technology (WUT),
Wyb. Wyspiańskiego str. 27, Wrocław 51-370, Poland
e-mail: dariusz.toczek@pwr.wroc.pl
E. Klepacz
e-mail: ewa.klepacz@pwr.wroc.pl
R. Gancarz
e-mail: roman.gancarz@pwr.wroc.pl
S. Roszak
Institute of Physical and Theoretical Chemistry,
Wrocław University of Technology (WUT),
Wyb. Wyspiańskiego str. 27, Wrocław 51-370, Poland
e-mail: szczepan.roszak@pwr.wroc.pl
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.
9.1 Introduction
Calcium in human body is mostly deposited in skeleton and bones as calcium phosphate. The rest of calcium ions, about 1 % of the whole concentration, play many
important functions in the organism. The concentration of Ca
2 +
in blood controls
the proper functioning of heart and circulatory system [1]. The Ca
2 +
concentration