Artículos de revistas
Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling
Registro en:
Bioorganic & Medicinal Chemistry. Pergamon-elsevier Science Ltd, v. 16, n. 10, n. 5788, n. 5794, 2008.
0968-0896
WOS:000256052400042
10.1016/j.bmc.2008.03.057
Autor
de Araujo, MVG
Vieira, EKB
Lazaro, GS
Conegero, LS
Almeida, LE
Barreto, LS
da Costa, NB
Gimenez, IF
Institución
Resumen
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 1879 M(-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. (C) 2008 Elsevier Ltd. All rights reserved. 16 10 5788 5794