Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models.
Virtual Systems Pharmacology (ViSP) software for simulation from mechanistic systems-level models.
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DOI：
10.3389/fphar.2014.00232
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发表时间：
2014
影响因子：
5.6
通讯作者：
Leil TA
中科院分区：
文献类型：
--
作者：
Ermakov S;Forster P;Pagidala J;Miladinov M;Wang A;Baillie R;Bartlett D;Reed M;Leil TA
有多个软件程序可用于设计和运行药物开发过程中使用的大规模系统级药理学模型。根据问题的不同，科学家可能会被迫使用几种建模工具，这可能会增加模型开发时间、IT成本等。因此，期望具有单个平台，该平台允许为已经用不同建模工具开发的模型设置和运行大规模仿真。我们开发了一个工作流程和一个软件平台，在该平台中，模型文件被编译为独立的可执行文件，该文件不再依赖于用于创建模型的软件。同时，通过将所有模型参数作为可执行文件的输入参数来保存完整的模型细节。该平台是一个模型不可知、治疗领域不可知和基于Web的应用程序，具有数据库后端，可用于配置、管理和执行多个用户对多个模型的大规模模拟。用户界面被设计为易于配置，以反映模型的细节和用户的特定需求，并且实施了后端数据库来存储和管理系统的所有方面，如模型、虚拟患者、用户界面设置和结果。该平台可以在现有的集群或云计算环境中进行调整和部署。代谢疾病系统药理学模型模拟了两种抗糖尿病药物二甲双胍和法西利坦在2型糖尿病患者中的效果，从而证明了它的用途。
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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