Computational Biology
Model, simulate, and visualize biological and biochemical systems. Model and simulate reaction kinetics.
G-Protein‐Coupled Receptors
Of all currently used therapeutic drugs, about 40-50% are centered on the mechanisms of so-called G-protein‐coupled receptors (GPCRs). Here, we use the SBML import function in Wolfram SystemModeler to import a model that describes the behavior of GPCRs and G proteins in a yeast cell.
G-Protein‐Coupled Receptors
The 3D structure of rhodopsin, which belongs to the G-protein‐coupled receptor family. Park, J.H., Morizumi, T., Li, Y. et al., "Opsin, a Structural Model for Olfactory Receptors?" Angewandte Chemie International Edition, 52(42) 2013 pp. 11021-1102. (Created with Mathematica).
In the search for novel drug targets, it is important to understand the pathways of GPCRs. The model depicted below has been imported from the BioModels Database using the SBML import function in Wolfram SystemModeler, and it describes the behavior of these receptors in a yeast cell.
The left model diagram describes the activation and deactivation of the GPCRs that are lodged in the cell membrane of a yeast cell. The right model diagram depicts a part of the signaling pathway inside the cell.
Simulation Results
A useful feature in the link between Mathematica and SystemModeler is the ability to perform sensitivity analyses of models. This feature is useful in this example if we want to identify which reactions influence the cell response the most.
A sensitivity analysis of the model with respect to key parameters reveals that G‐protein activation and receptor and signal degradation have a significant impact on the cell response, and thus represent potential drug targets.
Wolfram System Modeler
Try
Buy
System Modeler is available in English
and Japanese
on Windows, macOS & Linux »
Questions? Comments? Contact a Wolfram expert »