Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling.

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de Araujo MV, Vieira EK, Silva Lazaro G, Conegero LS, Almeida LE, Barreto LS, da Costa NB Jr, Gimenez IF

Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling.

Bioorg Med Chem. 2008 May 15;16(10):5788-94. doi: 10.1016/j.bmc.2008.03.057. Epub 2008 Mar 27.

PubMed ID

18434167 [ View in PubMed

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Abstract

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.

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Drug Targets

Drug	Target	Kind	Organism	Pharmacological Action	Actions
Sulfadiazine	Dihydropteroate synthetase	Protein	Plasmodium falciparum	Yes	Inhibitor	Details