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Compounds of Antibacterial Agent Ciprofloxacin and Magnesium – Crystal Structures and Molecular Modeling Calculations

✍ Scribed by Iztok Turel; Petra Živec; Andrej Pevec; Sarah Tempelaar; George Psomas

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
764 KB
Volume
2008
Category
Article
ISSN
1434-1948

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✦ Synopsis

Abstract

Two novel magnesium complexes of the quinolone antibacterial drug ciprofloxacin (cfH) were isolated and their crystal structures determined. In both compounds, bidentate O,O′‐bonding of quinolone molecules to the metal was observed and it was also found that a very extensive intermolecular hydrogen‐bond framework is present. The structures of both compounds, Mg(H~2~O)~2~(cfH)~2~~2~·2H~2~O (1) and Mg(cfH)~3~·5H~2~O (2) respectively, were compared with previously isolated compounds (cfH~2~)~2~Mg(H~2~O)~6~~2~·6H~2~O (3) and [Mg(cf)~2~]·2.5H~2~O (4) and the appearance of magnesium and quinolone in these structures was analyzed in detail. The lowest energy model structures of the new complexes were determined with molecular modeling calculations and compared with the corresponding structures of 1 and 2 determined by X‐ray crystallography. Though we were not able to isolate the 1:1 magnesium–ciprofloxacin complex, modeling calculations were also performed for such a complex due to its possible importance in biological systems. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

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