- Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling.
Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling.
Bioorganic & medicinal chemistry (2008-04-25)
Márcia Valéria Gaspar de Araújo, Elze Kelly Barbosa Vieira, Gilderman Silva Lázaro, Leila Souza Conegero, Luís Eduardo Almeida, Ledjane Silva Barreto, Nivan Bezerra da Costa, Iara F Gimenez
PMID18434167
摘要
In this work we prepared and characterized an inclusion complex of the dihydropteroate synthase inhibitor sulfadiazine (SDZ) in 2-hydroxypropyl-beta-cyclodextrin (HPBCD). From the phase-solubility diagram we observed an increase in the water solubility of the drug, calculating a binding constant of 1879M(-1). The inclusion mode involves a NH(2)-in orientation of the drug in the HPBCD cavity, according to the 2D NMR (ROESY) data and confirmed by molecular modeling using the semiempirical PM6 and RM1 methods.