InsilicoMetabolism
One-Carbon and Glutathione Metabolism Modeling Software
Welcome to InSilicoMetabolism (ISM)!
The ISM software1 is a mathematical model of one-carbon and glutathione metabolism based on known biochemistry and standard reaction kinetics (see diagram below).
The ISM model—
- consists of a set of ordinary differential equations for the concentrations of the metabolites in one-carbon and glutathione metabolism
- can be used to simulate genetic polymorphisms and variation in dietary intake by changing appropriate parameters
- predicts the expected changes in metabolite concentrations and reaction velocities under these altered conditions
For more information on why mathematical modeling was chosen click here.
Because the one-carbon and glutathione pathways are complex and involve several interacting metabolic cycles, understanding the effects of both dietary and genetic variations on the metabolism of the cell is a difficult and important intellectual challenge. This is where ISM comes in as a powerful tool. Please click on the following links to view four examples which demonstrate what the ISM software can do. Please note that the demos provided here are examples using an older version of the software that we will be distributing.
If you are interested in obtaining a free copy of this software for research purposes, please click here for information about how to register.
ISM was developed as a collaboration between Cornelia Ulrich, Fred Nijhout, Mike Reed, Jesse Gregory, Jill James, Marian Neuhouser, and Barry Shane under research funding by the NIH R01 CA105437 and NSF DMS0109872.
1 Reed MC, Nijhout HF, Neuhouser ML, et al. A mathematical model gives insights into nutritional and genetic aspects of folate-mediated one-carbon metabolism. J Nutr 2006; 136:2653-61.
To link to other downloadable publications which are relevant to the InSilicoMetabolism software, click here.
For more information on ISM and metabolism modeling, please visit our collaborator's website at Duke University.
