Adsorption capacity evaluation of zeolites as carrier of isoniazid

The adsorption of the anti-tuberculosis drug isoniazid has been explored in three kinds of zeolites: Mordenite, Faujasite-Y and Beta. For each one, adsorption kinetics was studied and a variation in the sorption of the drug from the zeolites has been measured. Them, drug/zeolite hybrids were prepared and characterized. Molecular modeling calculations were also performed in order to study the geometrical disposition of the drug molecules into the zeolite channels and the interaction energy between the mineral surface and the isoniazid molecule to understand how the interaction of the constituents from the formulations occurs. The results confirm the possibility of using these zeolites for absorption of isoniazid. In particular, Beta zeolite showed the highest holding ability for the study drug molecule. This study is a first and fundamental step in the evaluation of potential use of zeolites as a drug carrier. Moreover, the results obtained with isoniazid enable future studies in the development of more effective formulations for the treatment of tuberculosis. [Display omitted] •Adsorption of isoniazid by Mordenite, Faujasite-Y and Beta zeolite has been studied.•Geometrical disposition of isoniazid into zeolite pores and interaction energies were evaluated by molecular modeling.•Adsorption kinetic depends on the disposition of the drug on the zeolite surfaces.•Complex between isoniazid and beta zeolite showed the best adsorption features for upcoming formulations.