Simulation Based Analysis of Nanocarrier Internalization: Exciting Challenges with a New Computational Tool - Intracellular Delivery: Fundamentals and Applications - page 125

Simulation Based Analysis of Nanocarrier
Internalization: Exciting Challenges
with a New Computational Tool
Béla Csukás, Mónika Varga, Aleš Prokop, and Sándor Balogh
Abstract A new computational tool was developed, for model-based analysis of
the endocytosis and exocytosis mechanisms involved in nanocarrier delivery. This
was a hypothetical study because current data are insufficient to identify the under-
lying process model.
The detailed case studies represent appropriate examples for useful applications of
a quite hypothetical model. It allows the study of the individual mechanisms, as well
as the synergistic and antagonistic effects of their combinations. It helps to understand
how the possible limiting transportations and transformations, as well as the inherent
degradations, limit the utilization of the injected drug. In addition, by switching on
and off the respective processes, we can evaluate the beneficial or harmful effects of
some pathways, like nanocarrier or drug-containing nanocarrier exocytosis.
The applied methodology was flexible and effective, permitting one to describe
and run complex process models without any mathematical and computational
assistance. The question is whether constructive applications can compensate for
the possible malfunctions, caused by the limiting assumptions. Our answer is yes.
The development of this computational model is a valid example for the quali-
tative identification and validation, organized by the dialogue between field and
model experts with the computational model. As such, it can help to organize new
round of experiments.
We can state that the future of the computer assisted biosystem related, biotechno-
logical and biomedical studies depends highly on this kind of interactive collaborations.
B. Csukás ( * ), M. Varga, and S. Balogh
Department of Information Technology, Kaposvár University, 40 Guba S,
Kaposvár 7400, Hungary
e-mail: [e-mail]; [e-mail]; [e-mail]
A. Prokop
NanoDelivery International, Břeclav 69141, Czech Republic
and
Chemical and Biological Engineering, Vanderbilt University, Nashville,
TN 37235, USA
e-mail: [e-mail]