Department of Computational and Data Sciences, Indian Institute of Science, Bangalore, 560012, India.
Metabolomics. 2024 Aug 7;20(5):94. doi: 10.1007/s11306-024-02151-w.
Human metabolism is sustained by functional networks that operate at diverse scales. Capturing local and global dynamics in the human body by hierarchically bridging multi-scale functional networks is a major challenge in physiological modeling.
To develop an interactive, user-friendly web application that facilitates the simulation and visualization of advection-dispersion transport in three-dimensional (3D) microvascular networks, biochemical exchange, and metabolic reactions in the tissue layer surrounding the vasculature.
To help modelers combine and simulate biochemical processes occurring at multiple scales, KiPhyNet deploys our discrete graph-based modeling framework that bridges functional networks existing at diverse scales. KiPhyNet is implemented in Python based on Apache web server using MATLAB as the simulator engine. KiPhyNet provides the functionality to assimilate multi-omics data from clinical and experimental studies as well as vascular data from imaging studies to investigate the role of structural changes in vascular topology on the functional response of the tissue.
With the network topology, its biophysical attributes, values of initial and boundary conditions, parameterized kinetic constants, biochemical species-specific transport properties such as diffusivity as inputs, a user can use our application to simulate and view the simulation results. The results of steady-state velocity and pressure fields and dynamic concentration fields can be interactively examined.
KiPhyNet provides barrier-free access to perform time-course simulation experiments by building multi-scale models of microvascular networks in physiology, using a discrete modeling framework. KiPhyNet is freely accessible at http://pallab.cds.iisc.ac.in/kiphynet/ and the documentation is available at https://deepamahm.github.io/kiphynet_docs/ .
人类代谢是由在不同尺度上运作的功能网络维持的。通过层次化地连接多尺度功能网络来捕捉人体的局部和全局动态,是生理建模中的一个主要挑战。
开发一个交互式、用户友好的网络应用程序,以方便在三维(3D)微血管网络中模拟和可视化对流-弥散输运、血管周围组织层中的生化交换和代谢反应。
为了帮助建模者组合和模拟发生在多个尺度上的生化过程,KiPhyNet 采用了我们的离散图论建模框架,该框架连接了不同尺度上存在的功能网络。KiPhyNet 是用 Python 编写的,基于 Apache 网络服务器,使用 MATLAB 作为模拟器引擎。KiPhyNet 提供了从临床和实验研究中整合多组学数据以及从成像研究中整合血管数据的功能,以研究血管拓扑结构的变化对组织功能反应的影响。
通过网络拓扑、其生物物理属性、初始和边界条件的值、参数化的动力学常数、生化物质特定的输运特性(如扩散率)作为输入,用户可以使用我们的应用程序来模拟和查看模拟结果。稳态速度和压力场以及动态浓度场的结果可以进行交互式检查。
KiPhyNet 通过构建生理学中小血管网络的多尺度模型,使用离散建模框架,为进行时程模拟实验提供了无障碍的访问途径。KiPhyNet 可在 http://pallab.cds.iisc.ac.in/kiphynet/ 访问,文档可在 https://deepamahm.github.io/kiphynet_docs/ 查阅。