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Authors: James T. Murphy 1 ; Ray Walshe 1 and Marc Devocelle 2

Affiliations: 1 Dublin City University, Ireland ; 2 Royal College of Surgeons in Ireland, Ireland

Keyword(s): Agent-based model, Antibiotic resistance, Pro-drug, Bacteria, Simulation.

Related Ontology Subjects/Areas/Topics: Agents ; Artificial Intelligence ; Bioinformatics ; Biomedical Engineering ; Enterprise Information Systems ; Information Systems Analysis and Specification ; Methodologies and Technologies ; Operational Research ; Pharmaceutical Applications ; Simulation ; Systems Biology

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 describe d here represents an important stepping stone in connecting the theoretical and practical understanding of the system as a whole. (More)

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Paper citation in several formats:
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 (BIOSTEC 2011) - BIOINFORMATICS; ISBN 978-989-8425-36-2; ISSN 2184-4305, SciTePress, pages 301-308. DOI: 10.5220/0003154903010308

@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 (BIOSTEC 2011) - BIOINFORMATICS},
year={2011},
pages={301-308},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003154903010308},
isbn={978-989-8425-36-2},
issn={2184-4305},
}

TY - CONF

JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms (BIOSTEC 2011) - BIOINFORMATICS
TI - A COMPUTATIONAL MODELLING APPROACH TO EXPLORE THE ANTI-MICROBIAL PRO-DRUG DELIVERY SYSTEM
SN - 978-989-8425-36-2
IS - 2184-4305
AU - T. Murphy, J.
AU - Walshe, R.
AU - Devocelle, M.
PY - 2011
SP - 301
EP - 308
DO - 10.5220/0003154903010308
PB - SciTePress

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