Issue 21, 2011
From the journal:

Journal of Materials Chemistry

In vitro and in silico investigations of drug delivery viazeolite BEA

Dimitrios G. Fatouros,†‡a   Dennis Douroumis,b   Vladimiros Nikolakis,‡c   Spyridon Ntais,c   Anastasia Maria Moschovi,c   Vivek Trivedi,b   Bhavin Khima,a   Marta Roldo,a   Hamde Nazara  and  Paul A. Cox‡*a  

* Corresponding authors

a School of Pharmacy and Biomedical Sciences, University of Portsmouth, St Michael's Building, White Swan Road, Portsmouth, UK
E-mail: marta.roldo@port.ac.uk, hamde.nazar@port.ac.uk, paul.cox@port.ac.uk
Fax: +44 (0)2392843565
Tel: +44 (0)2392845613

b Medway School of Pharmacy, Universities of Kent/Greenwich, Central Avenue, Chatham Maritime, Kent, UK
E-mail: D.Douroumis@greenwich.ac.uk, V.Trivedi@gre.ac.uk
Fax: +44 (0)2083319805
Tel: +44 (0)163443365

c Foundation for Research and Technology Hellas, Institute of Chemical Engineering and High Temperature Chemical Processes—FORTH/ICE-HT, P. O. Box 1414, Patras, Greece
E-mail: vnikolak@iceht.forth.gr, dais@iceht.forth.gr, natassamoschovi@iceht.forth.gr
Fax: +30 2610965223
Tel: +30 2610965242

Abstract

A combination of experiment and theory has been used to assess the potential use of the zeolite BEA as a drug delivery agent. Molecular dynamics (MD) has been used to examine the diffusion of two different drug molecules, salbutamol and theophylline, inside the zeolite BEA. MD shows that the two molecules display different diffusion behaviour, with the salbutamol molecule able to diffuse more freely than theophylline within the internal channel system of the zeolite. Several experimental techniques have been used to investigate the loading and release of the drug molecules from the BEA host. The results obtained support the observations from the modelling and suggest that modelling has an important role to play in screening zeolite–drug combinations prior to experimental investigation.

Graphical abstract: In vitro and in silico investigations of drug delivery viazeolite BEA

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Article information

DOI
https://doi.org/10.1039/C1JM10204D
Article type
Paper
Submitted
14 Jan 2011
Accepted
11 Mar 2011
First published
26 Apr 2011

J. Mater. Chem., 2011,21, 7789-7794

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In vitro and in silico investigations of drug delivery viazeolite BEA

D. G. Fatouros, D. Douroumis, V. Nikolakis, S. Ntais, A. M. Moschovi, V. Trivedi, B. Khima, M. Roldo, H. Nazar and P. A. Cox, J. Mater. Chem., 2011, 21, 7789 DOI: 10.1039/C1JM10204D

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