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An extended bioreaction database that significantly improves reconstruction and analysis of genome-scale metabolic networks.

机译:扩展的生物反应数据库,可显着改善基因组规模代谢网络的重建和分析。

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摘要

The bioreaction database established by Ma and Zeng (Bioinformatics, 2003, 19, 270-277) for in silico reconstruction of genome-scale metabolic networks has been widely used. Based on more recent information in the reference databases KEGG LIGAND and Brenda, we upgrade the bioreaction database in this work by almost doubling the number of reactions from 3565 to 6851. Over 70% of the reactions have been manually updated/revised in terms of reversibility, reactant pairs, currency metabolites and error correction. For the first time, 41 spontaneous sugar mutarotation reactions are introduced into the biochemical database. The upgrade significantly improves the reconstruction of genome scale metabolic networks. Many gaps or missing biochemical links can be recovered, as exemplified with three model organisms Homo sapiens, Aspergillus niger, and Escherichia coli. The topological parameters of the constructed networks were also largely affected, however, the overall network structure remains scale-free. Furthermore, we consider the problem of computing biologically feasible shortest paths in reconstructed metabolic networks. We show that these paths are hard to compute and present solutions to find such paths in networks of small and medium size.
机译:由Ma和Zeng(Bioinformatics,2003,19,270-277)建立的用于基因组规模代谢网络的计算机重建的生物反应数据库已被广泛使用。根据参考数据库KEGG LIGAND和Brenda中的最新信息,我们通过将反应数目从3565增加到6851几乎翻了一番来升级生物反应数据库。在可逆性方面,超过70%的反应已手动更新/修订,反应物对,货币代谢物和错误校正。首次将41个自发的糖突变反应引入生化数据库。升级显着改善了基因组规模代谢网络的重建。可以恢复许多缺口或缺失的生化联系,例如三种模式生物智人,黑曲霉和大肠杆菌。构造网络的拓扑参数也受到很大影响,但是,整个网络结构仍然没有规模。此外,我们考虑在重建的代谢网络中计算生物学上可行的最短路径的问题。我们表明这些路径很难计算,并提出了在中小型网络中找到此类路径的解决方案。

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