School of Computing, Dublin City University, Ireland

MODELLING & SCIENTIFIC COMPUTING


  
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Drug dissolution / predicition - pharmacokinetics


   

A computational pharmacokinetics approach will be used to develop a package for cheap, reliable and fast prediction of drug absorption by the body from a localised source. The precise control of drug input to the body by different routes is now possible using a variety of sophisticated delivery systems. However, most drugs are still given as conventional oral dosage forms or simple injections, methods of drug delivery that can be variable and unpredictable.

Of particular interest in the design of effective drug delivery systems is the rate of drug release into the human body from the tablet or implant used to deliver the dosage. A more effective drug delivery system would release the drug more gradually over time, using materials which maintain a constant surface area of the drug.



Image: DDS model for a multi-layer tablet

This project will investigate the role of computational pharmacokinetics for the development of more accurate drug dissolution models in vitro and in vivo and the use of these models in the simulation of drug transport. This research will involve interaction with NICB research on anticancer drug assays and the Bioassays and Bioanalysis Core Facility. 

Selected Group Publications:

  • Bezbradica, M., Ruskin, H.J. and Crane, M. (2014), Comparative Analysis of Asynchronous Cellular Automata in Stochastic Pharmaceutical Modelling, Journal of Computational Science, Vol.5, Issue.5, 834-840, JoI: 10.1016/j.jocs.2014.04.010.

  • Bezbradica, M., Crane, M., and Ruskin,H. J., Parallelisation strategies for large scale cellular automata frameworks in pharmaceutical modellings, In the Proceedings of 2012 International Conference on High Performance Computing and Simulation (HPCS2012), Madrid, Spain, 2nd - 6th July 2012. Nominated for the HPCS 2012 Outstanding Paper Award.

  • Barat A., Crane M., Ruskin H.J.,Quantitative multi-agent models for simulating protein release from PLGA bioerodible nano- and microspheres,Journal of Pharmaceutical and Biomedical Analysis, Vol 48(2), pp361-368, Elsevier, 2008.





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    Contact: +353 1 700 6747 / modsci@computing.dcu.ie