Experimental and molecular modelling study of beta zeolite as drug delivery system

Zeolites as Ingredients of Medicinal Products

“…Even if the nanocomposite did not modify the release profile of isoniazid, faujasite-Y demonstrated that it was able to protect the drug from the acid media. Studies on the optimization of isoniazid adsorption by zeolite beta and the release behaviour were also reported [ 83 ]. These studies demonstrated that the maximum loading capacity is obtained at pH 6, and a minimum release of isoniazid was obtained in acidic conditions.…”

“…Regarding the release process, in vitro studies coincided with the molecular dynamic simulations: as higher the aluminium content, the lower the probucol release. Molecular modelling studies were performed to better understand the interactions between the isoniazid molecule and the zeolites beta, mordenite, and faujasite [ 81 , 82 , 83 ]. On this occasion, the molecular modelling studies were in agreement with the experimental data, thus offering a good theoretical approximation [ 81 , 82 , 83 ].…”

“…Molecular modelling studies were performed to better understand the interactions between the isoniazid molecule and the zeolites beta, mordenite, and faujasite [ 81 , 82 , 83 ]. On this occasion, the molecular modelling studies were in agreement with the experimental data, thus offering a good theoretical approximation [ 81 , 82 , 83 ]. Molecular modelling by quantum calculations at Hartree−Fock and density functional theory were conducted in the study performed by Datt et al [ 146 ] in order to understand the intermolecular interactions between the zeolite HY zeolite and the aspirin.…”