| Literature DB >> 17583516 |
Márcia Valéria Gaspar de Araújo1, Elze Kelly Barbosa Vieira, Gilderman Silva Lázaro, Leila de Souza Conegero, Odair Pastor Ferreira, Lui S Eduardo Almeida, Ledjane Silva Barreto, Nivan Bezerra da Costa, Iara F Gimenez.
Abstract
The inclusion complexation of pyrimethamine in 2-hydroxypropyl-beta-cyclodextrin has been investigated by 2D (1)H NMR, FTIR and UV/visible spectroscopy and also by molecular modelling methods (AM1, PM3, MM3). From the phase-solubility diagram a linear increase was observed in pyrimethamine aqueous solubility in the presence of 2-hydroxypropyl-beta-cyclodextrin, evidencing the formation of a soluble inclusion complex. According to the continuous variation method (Job's plot) applied to fluorescence measurements, a 1:1 stoichiometry has been proposed for the complex. Concerning the structure of the complex, a Cl-in orientation of pyrimethamine in the 2-hydroxypropyl-beta-cyclodextrin cavity has been proposed from the theoretical calculations, being confirmed by two-dimensional (1)H NMR spectroscopy (ROESY). The thermal behaviour has also been studied, providing complementary evidences of complex formation.Entities:
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Year: 2007 PMID： 17583516 DOI： 10.1016/j.bmc.2007.06.013
Source DB: PubMed Journal: Bioorg Med Chem ISSN： 0968-0896 Impact factor: 3.641