ISSN:
1573-1111
Keywords:
cyclosophoraoses
;
β-cyclodextrin
;
inclusion complex
;
Monte Carlo simulation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Neutral cyclosophoraoses (unbranched cyclic β-1,2-d-glucans) produced by the Rhizo-bium meliloti 2011 were prepared by size exclusion and anion-exchange chromatographic techniques. The degree of polymerization (DP) of isolated cyclosophoraoses was determined by matrix associated laser desorption/ionization mass spectrometry (MALDI/MS) techniques. A family of purified neutral cyclosophoraoses (DP 17–27) was used as a host for the inclusion complexation with hardly soluble ergosterol. High performance liquid chromatographic (HPLC) analysis showed that it induced much enhanced solubility of ergosterol compared to β-cyclodextrin. In order to understand the molecular basis of the complex forming ability of cyclosophoraoses, a Monte Carlo (MC) docking-minimization method was used for host-guest complex formation of cyclosophoraoses or β-cyclodextrin with ergosterol. From the MC simulation we propose the `hand-shake' mechanism for complexation of cyclosophoraoses with ergosterol.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008050432556
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