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Everyone, who some time was engaged in the kinetic modeling of biochemical systems, knows that the lion’s share of time takes routine spade-work – search of articles and extraction of useful information from them. In order to develop kinetic model with high prediction power it is necessary not only to describe in detail the mechanism of action for every enzyme in the pathway but also bind the model to the ceiling amount of various kinds of experimental data. Frequently for kinetic model of enzyme work development there is a need to have analyzed several tens of scientific articles, having sifted out the main art of information (up to 80 - 90%). There is no prize for guessing, that it extends time being required for model development, because it should not be forgotten that in the pathway into consideration may be quite a few enzymes. It is essentially to mark out that demand for such information on the bioinformational market is high enough and continues to increase. It connects with the fact that increasingly more scientific groups and laboratories apply kinetic modeling for their researches.
In contrast to similar existing databases (for example, BRENDA, ECOCYC) our database contain the figures with experimental dependences in addition to measured kinetic parameters. Moreover experimental dependences are endured by numeralization, and numerical values of experimental points are included in the database. The conditions of experiment carrying out are extracted from the articles in which were received curves or measured parameters, that is very important for heterogeneous experimental data describing.
These innovations essentially widen the spectrum of databases applying. Thus, this information may be used not only for enzymes work modeling but also for other aims. For example, comparing corresponding kinetic parameters of enzyme in different organisms it is possible to define evolutional connection between them. The comparison of enzymes of the same name in different mammalian tissue for search of metabolic features of tissues and organs may be performed as well.
At present time in the database contains the information about enzymes of some pathways of central metabolism for a number of bacteria, as well as about enzymes of mammalian prostaglandins biosynthesis pathway – totally about 1000 enzymes from various organisms. The work has been going about a year, it have been managed to review about 800 articles for this time, database contains more than ten thousand constants and about one thousand graphs with experimental dependences.
Speaking about real application of databases it is possible to give a number of examples; we stay on one of them in detail. We took this product during model of mammalian prostaglandins biosynthesis development. As a result we have achieved approximately 70% of time saving on the first step of model development. So, instead of forth planned month we have spent on this work slightly more then one. Saving of time was reached exclusively by means of using Enzyme Kinetic Mechanisms Database on the first stage of work. In spite of seeming stinginess of figures giving, it is very good result permitting to expect that in the future this project development allow to scientists involved in kinetic modeling to spare more time for analysis of model behavior rather then its development. At present time we are successfully using database during development of kinetic models of central metabolism, metabolism of fatty acid in Escherichia coli cells and energetic metabolism in Mycobacterium tuberculosis cells. |