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Modelling drug coatings: A parallel cellular automata model of ethylcellulose-coated microspheres
Bezbradica, Marija; Ruskin, Heather J.; Crane, Martin
Pharmaceutical companies today face a growing demand for more complex drug designs. In the past few decades, a number of probabilistic models have been developed, with the aim of improving insight on microscopic features of these complex designs. Of particular interest are models of controlled release systems, which can provide tools to study targeted dose delivery. Controlled release is achieved by using polymers with different dissolution characteristics. We present here an approach for parallelising a large-scale model of a drug delivery system based on Monte Carlo methods, as a framework for Cellular Automata mobility. The model simulates drug release in the gastro-intestinal tract, from coated ethylcellulose microspheres. The objective is high performance simulation of coated drugs for targeted delivery. The overall aim is to understand the importance of various molecular effects with respect to system evolution over time. Important underlying mechanisms of the process, such as erosion and diffusion, are described.
Keyword(s): Bioinformatics; Mathematical models; Numerical analysis; Statistical physics; Computer simulation; Drug dissolution; Probabilistic methods; Discrete simulation; Computational modelling; Parallelisation; Pharmacokinetics
Publication Date:
Type: Other
Peer-Reviewed: Unknown
Language(s): English
Institution: Dublin City University
Citation(s): Bezbradica, Marija ORCID: 0000-0001-9366-5113 <>, Ruskin, Heather J. ORCID: 0000-0001-7101-2242 <> and Crane, Martin ORCID: 0000-0001-7598-3126 <> (2011) Modelling drug coatings: A parallel cellular automata model of ethylcellulose-coated microspheres. In: Proceedings of The International Conference on Bioscience, Biochemistry and Bioinformatics (ICBBB 2011). IACSIT Press, Singapore, pp. 419-424. ISBN 978-981-08-8718-6
Publisher(s): IACSIT Press
File Format(s): application/pdf
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First Indexed: 2013-02-28 05:23:20 Last Updated: 2019-02-09 06:38:16