Generating rate equations for complex enzyme systems by a computer-assisted systematic method

Autor: Beard Daniel A, Han Yu, Dash Ranjan K, Qi Feng
Jazyk: angličtina
Rok vydání: 2009
Předmět:
Zdroj: BMC Bioinformatics, Vol 10, Iss 1, p 238 (2009)
Druh dokumentu: article
ISSN: 1471-2105
DOI: 10.1186/1471-2105-10-238
Popis: Abstract Background While the theory of enzyme kinetics is fundamental to analyzing and simulating biochemical systems, the derivation of rate equations for complex mechanisms for enzyme-catalyzed reactions is cumbersome and error prone. Therefore, a number of algorithms and related computer programs have been developed to assist in such derivations. Yet although a number of algorithms, programs, and software packages are reported in the literature, one or more significant limitation is associated with each of these tools. Furthermore, none is freely available for download and use by the community. Results We have implemented an algorithm based on the schematic method of King and Altman (KA) that employs the topological theory of linear graphs for systematic generation of valid reaction patterns in a GUI-based stand-alone computer program called KAPattern. The underlying algorithm allows for the assumption steady-state, rapid equilibrium-binding, and/or irreversibility for individual steps in catalytic mechanisms. The program can automatically generate MathML and MATLAB output files that users can easily incorporate into simulation programs. Conclusion A computer program, called KAPattern, for generating rate equations for complex enzyme system is a freely available and can be accessed at http://www.biocoda.org.
Databáze: Directory of Open Access Journals