Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach

Quimica nova

Delgadillo-Armendariz, Nancy L.¹  Rangel-Vazquez, Norma A.¹  Rojas-De Gascue, Blanca²  Marquez-Brazon, Edgar A.² 

[1] Instituto Tecnológico de Aguascalientes, Aguascalientes, Ags. México;Universidad de Oriente, Cumaná, Venezuela

关键词: chitosan;    genipin;    glibenclamide;    FTIR;    QSPR modeling.;   

DOI  :  10.5935/0100-4042.20140243

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

A hydrogel comprised of chitosan crosslinked using the low-toxicity crosslinker genipin was prepared, and the absorption of glibenclamide by the hydrogel was investigated. Optimized structures and their molecular electrostatic potentials were calculated using the AM1 method, and the results were used to evaluate the molecular interactions between the three compounds. The quantitative structure-property relationship model was also used to estimate the activity of the chemicals on the basis their molecular structures. In addition, theoretical Fourier transform infrared spectra were calculated to analyze the intermolecular interactions in the proposed system. Finally, the hydrophilicity of the hydrogel and its influence on the absorption process were also estimated.

【 授权许可】

CC BY