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Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models

Multiple software programs are available for designing and running large scale system-level pharmacology models used in the drug development process. Depending on the problem, scientists may be forced to use several modeling tools that could increase model development time, IT costs and so on. There...

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Autores principales: Ermakov, Sergey, Forster, Peter, Pagidala, Jyotsna, Miladinov, Marko, Wang, Albert, Baillie, Rebecca, Bartlett, Derek, Reed, Mike, Leil, Tarek A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4205926/
https://www.ncbi.nlm.nih.gov/pubmed/25374542
http://dx.doi.org/10.3389/fphar.2014.00232
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author Ermakov, Sergey
Forster, Peter
Pagidala, Jyotsna
Miladinov, Marko
Wang, Albert
Baillie, Rebecca
Bartlett, Derek
Reed, Mike
Leil, Tarek A.
author_facet Ermakov, Sergey
Forster, Peter
Pagidala, Jyotsna
Miladinov, Marko
Wang, Albert
Baillie, Rebecca
Bartlett, Derek
Reed, Mike
Leil, Tarek A.
author_sort Ermakov, Sergey
collection PubMed
description Multiple software programs are available for designing and running large scale system-level pharmacology models used in the drug development process. Depending on the problem, scientists may be forced to use several modeling tools that could increase model development time, IT costs and so on. Therefore, it is desirable to have a single platform that allows setting up and running large-scale simulations for the models that have been developed with different modeling tools. We developed a workflow and a software platform in which a model file is compiled into a self-contained executable that is no longer dependent on the software that was used to create the model. At the same time the full model specifics is preserved by presenting all model parameters as input parameters for the executable. This platform was implemented as a model agnostic, therapeutic area agnostic and web-based application with a database back-end that can be used to configure, manage and execute large-scale simulations for multiple models by multiple users. The user interface is designed to be easily configurable to reflect the specifics of the model and the user's particular needs and the back-end database has been implemented to store and manage all aspects of the systems, such as Models, Virtual Patients, User Interface Settings, and Results. The platform can be adapted and deployed on an existing cluster or cloud computing environment. Its use was demonstrated with a metabolic disease systems pharmacology model that simulates the effects of two antidiabetic drugs, metformin and fasiglifam, in type 2 diabetes mellitus patients.
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spelling pubmed-42059262014-11-05 Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models Ermakov, Sergey Forster, Peter Pagidala, Jyotsna Miladinov, Marko Wang, Albert Baillie, Rebecca Bartlett, Derek Reed, Mike Leil, Tarek A. Front Pharmacol Pharmacology Multiple software programs are available for designing and running large scale system-level pharmacology models used in the drug development process. Depending on the problem, scientists may be forced to use several modeling tools that could increase model development time, IT costs and so on. Therefore, it is desirable to have a single platform that allows setting up and running large-scale simulations for the models that have been developed with different modeling tools. We developed a workflow and a software platform in which a model file is compiled into a self-contained executable that is no longer dependent on the software that was used to create the model. At the same time the full model specifics is preserved by presenting all model parameters as input parameters for the executable. This platform was implemented as a model agnostic, therapeutic area agnostic and web-based application with a database back-end that can be used to configure, manage and execute large-scale simulations for multiple models by multiple users. The user interface is designed to be easily configurable to reflect the specifics of the model and the user's particular needs and the back-end database has been implemented to store and manage all aspects of the systems, such as Models, Virtual Patients, User Interface Settings, and Results. The platform can be adapted and deployed on an existing cluster or cloud computing environment. Its use was demonstrated with a metabolic disease systems pharmacology model that simulates the effects of two antidiabetic drugs, metformin and fasiglifam, in type 2 diabetes mellitus patients. Frontiers Media S.A. 2014-10-22 /pmc/articles/PMC4205926/ /pubmed/25374542 http://dx.doi.org/10.3389/fphar.2014.00232 Text en Copyright © 2014 Ermakov, Forster, Pagidala, Miladinov, Wang, Baillie, Bartlett, Reed and Leil. http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Pharmacology
Ermakov, Sergey
Forster, Peter
Pagidala, Jyotsna
Miladinov, Marko
Wang, Albert
Baillie, Rebecca
Bartlett, Derek
Reed, Mike
Leil, Tarek A.
Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title_full Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title_fullStr Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title_full_unstemmed Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title_short Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models
title_sort virtual systems pharmacology (visp) software for simulation from mechanistic systems-level models
topic Pharmacology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4205926/
https://www.ncbi.nlm.nih.gov/pubmed/25374542
http://dx.doi.org/10.3389/fphar.2014.00232
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