title: Physicochemical study and characterization of the trimethoprim/2-hydroxypropyl-γ-cyclodextrin inclusion complex.
abstract: Here we report the preparation of a trimethoprim/2-hydroxypropyl-γ-cyclodextrin inclusion complex along with a physicochemical study, structural characterization, and molecular modeling of the complex. As main results, we observed from phase-solubility studies at two temperatures (20 °C and 35 °C) that the association constants decrease with increasing temperature. Values for K(1:1) constant were of the same magnitude order of those found for the parent γ-CD. The inclusion orientation as evidenced by ROESY measurements involves the inclusion of the 3,4,5-trimethoxybenzyl ring in the CD cavity from the larger rim. This is in agreement with semiempirical molecular modeling calculation.
authors: NPGQ - Núcleo de Pós-graduação em Química, Universidade Federal de Sergipe (UFS), Av. Marechal Rondon s/n, Campus Universitário Prof. José Aloísio de Campos, CEP 49100-000, São Cristóvão, SE, Brazil.
authors: Osmir F L
authors: OF
authors: Macedo
authors: George R S
authors: GR
authors: Andrade
authors: Leila S
authors: LS
authors: Conegero
authors: Ledjane S
authors: LS
authors: Barreto
authors: Nivan B
authors: NB
authors: Costa
authors: Iara F
authors: IF
authors: Gimenez
authors: Luis E
authors: LE
authors: Almeida
authors: Daniela
authors: D
authors: Kubota
mesh_terms: D055598:Chemical Phenomena; D005947:Glucose / Q000737:chemistry; D007700:Kinetics; D008958:Models, Molecular; D044367:Phase Transition; D012995:Solubility; D017550:Spectroscopy, Fourier Transform Infrared; D013696:Temperature; D014295:Trimethoprim / Q000737:chemistry*; D047408:gamma-Cyclodextrins / Q000737:chemistry*
chemical_list: D047408:gamma-Cyclodextrins; C479659:hydroxypropyl-gamma-cyclodextrin; D014295:Trimethoprim; D005947:Glucose