A COMPUTATIONAL MODELLING APPROACH TO EXPLORE THE ANTI-MICROBIAL PRO-DRUG DELIVERY SYSTEM

James T. Murphy, Ray Walshe, Marc Devocelle

2011

Abstract

This article documents simulations using an agent-based modelling approach to analyse the system dynamics of the b-lactamase-dependent therapeutic activation pro-drug delivery system, a novel approach for achieving selective release of anti-microbial drugs for treating antibiotic-resistant bacteria. It is thought that this strategy could be a promising approach for treating b-lactamase over-expressing strains of bacteria that are resistant to traditional b-lactam antibiotics such as penicillin. Test simulations were carried out to investigate the prodrug system from a theoretical standpoint and assess the effects of key parameters such as half-life, diffusion rate and reaction kinetics on the system behaviour. It is important to obtain a thorough understanding of the complex interplay between the various components involved in the pro-drug delivery system to be able to interpret results from laboratory testing, and ultimately, from the clinical setting. The agent-based model described here represents an important stepping stone in connecting the theoretical and practical understanding of the system as a whole.

Paper Citation

in Harvard Style

T. Murphy J., Walshe R. and Devocelle M. (2011). A COMPUTATIONAL MODELLING APPROACH TO EXPLORE THE ANTI-MICROBIAL PRO-DRUG DELIVERY SYSTEM . In Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2011) ISBN 978-989-8425-36-2, pages 301-308. DOI: 10.5220/0003154903010308

in Bibtex Style

@conference{bioinformatics11,
author={James T. Murphy and Ray Walshe and Marc Devocelle},
title={A COMPUTATIONAL MODELLING APPROACH TO EXPLORE THE ANTI-MICROBIAL PRO-DRUG DELIVERY SYSTEM},
booktitle={Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2011)},
year={2011},
pages={301-308},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003154903010308},
isbn={978-989-8425-36-2},
}

in EndNote Style

TY - CONF
JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2011)
TI - A COMPUTATIONAL MODELLING APPROACH TO EXPLORE THE ANTI-MICROBIAL PRO-DRUG DELIVERY SYSTEM
SN - 978-989-8425-36-2
AU - T. Murphy J.
AU - Walshe R.
AU - Devocelle M.
PY - 2011
SP - 301
EP - 308
DO - 10.5220/0003154903010308