In vitro and in silico investigations of drug delivery via zeolite BEA

Fatouros, Dimitrios, Douroumis, D, Nikolakis, V, Ntais, S, Moschovi, Anastasia Maria, Trivedi, V, Khima, B, Roldo, Marta, Nazar, Hamde and Cox, Paul (2011) In vitro and in silico investigations of drug delivery via zeolite BEA. Journal of Materials Chemistry (21). pp. 7789-7794. ISSN 0959-9428

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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.

Item Type: Article
Subjects: Sciences > Biomedical Sciences
Sciences > Chemistry
Sciences > Pharmacy and Pharmacology
Divisions: Faculty of Applied Sciences > Department of Pharmacy Health and Wellbeing
Units of Assessment > 03 Allied Health Professions, Dentistry, Nursing and Pharmacy (UoA)
Depositing User: Hamde Nazar
Date Deposited: 24 Jan 2012 17:18
Last Modified: 22 Sep 2017 16:34
URI: http://sure.sunderland.ac.uk/id/eprint/1010

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