Abstract
This chapter describes the basics of the fundamental techniques used in this thesis. It is divided in three parts: (1) complex network tools applied to metabolism, (2) description of Flux Balance Analysis (FBA)—used to compute metabolic fluxes at steady state—and of Flux Variability Analysis—a variant of FBA to bound minimum and maximum fluxes for each reaction—and (3) a description of all the genome-scale metabolic reconstructions analysed in this thesis.
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Notes
- 1.
Protein–protein interactions refer to physical contacts established between two or more proteins as a result of biochemical events and/or electrostatic forces.
- 2.
This name is refers to the scale-invariance that power-laws display: if \(f(x)=a(x)^\gamma \), then \(f(cx)=a(cx)^\gamma =c^\gamma \,f(x)\).
- 3.
According to the IUPAC, a moiety is a part of a molecule that may include either whole functional groups or parts of functional groups as substructures.
References
Albert R, Barabási AL (2002) Statistical mechanics of complex networks. Rev Mod Phys 74:47–97
Newman M (2010) Networks: an introduction. Oxford University Press, New York
Jeong H, Tombor B, Albert R, Oltvai ZN, Barabási AL (2000) The large-scale organization of metabolic networks. Nature 407:651–654
Jeong H, Mason SP, Barabási AL, Oltvai ZN (2001) Lethality and centrality in protein networks. Nature 411(6833):41–42
Wagner A, Fell DA (2001) The small world inside large metabolic networks. Proc R Soc Lond B 268:1803–1810
Ravasz E, Somera AL, Mongru DA, Oltvai ZN, Barabási AL (2002) Hierarchical organization of modularity in metabolic networks. Science 297:1551–1555
Barabási AL, Oltvai ZN (2004) Network biology: understanding the cells functional organization. Nat Rev Genet 5:101–113
Wagner A (2005) Distributed robustness versus redundancy as causes of mutational robustness. BioEssays 27:176–188
Motter AE, Gulbahce N, Almaas E, Barabási AL (2008) Predicting synthetic rescues in metabolic networks. Mol Syst Biol 4:168
Palsson BØ (2006) Systems biology: properties of reconstructed networks. Cambridge University Press, New York
Alon U (2006) An introduction to systems biology: design principles of biological circuits. CRC Press, Boca Raton
Orth JD, Thiele I, Palsson BØ (2010) What is flux balance analysis? Nat Biotechnol 28:245–248
Varma A, Palsson BØ (1993) Metabolic capabilities of Escherichia coli: I. Synthesis of biosynthetic precursors and cofactors. J Theor Biol 165(4):477–502
Suthers PF, Zomorrodi A, Maranas CD (2009) Genome-scale gene/reaction essentiality and synthetic lethality analysis. Mol Syst Biol 5:301
Barve A, Rodrigues JFM, Wagner A (2012) Superessential reactions in metabolic networks. Proc Natl Acad Sci USA 1091:E1121–E1130
Mahadevan R, Schilling CH (2003) The effects of alternate optimal solutions in constraint-based genome-scale metabolic models. Metab Eng 5:264–276
Gudmundsson S, Thiele I (2010) Computationally efficient flux variability analysis. BMC Bioinform 11:489
Almaas E, Kovacs B, Vicsek T, Oltvai ZN, Barabási AL (2004) Global organization of metabolic fluxes in the bacterium Escherichia coli. Nature 427(6977):839–843
Guillaume JL, Latapy M (2006) Bipartite graphs as models of complex networks. Phyics A 371:795–813
Güell O, Serrano MÁ, Sagués F (2014) Environmental dependence of the activity and essentiality of reactions in the metabolism of Escherichia coli. In: Engineering of Chemical Complexity II. World Scientific Publishing, Singapore, pp 39–56. ISBN 978-981-4616-12-6
Holme P, Liljeros F, Edling CR, Kim BJ (2003) Network bipartivity. Phys Rev E 68(5):056107
Ma HW, Zeng AP (2003a) Reconstruction of metabolic networks from genome data and analysis of their global structure for various organisms. Bioinformatics 19:270–277
Newman MEJ (2003) The structure and function of complex networks. SIAM Rev 45:167–256
Barabási AL, Bonabeau E (2003) Scale-free networks. Sci Am 288(5):50–59
Albert R (2005) Scale-free networks in cell biology. J Cell Sci 118(21):4947–4957
Keller EF (2005) Revisiting “scale-free” networks. BioEssays 27(10):1060–1068
Tanaka R (2005) Scale-rich metabolic networks. Phys Rev Lett 94(16):168101
Kim P et al (2007) Metabolite essentiality elucidates robustness of Escherichia coli metabolism. Proc Natl Acad Sci USA 104(34):13638–13642
Feist AM et al (2007) A genome-scale metabolic reconstruction for Escherichia coli K-12 MG1655 that accounts for 1260 ORFs and thermodynamic information. Mol Syst Biol 3:121
Orth JD, Fleming RM, Palsson BØ (2009) EcoSal—Escherichia coli and Salmonella: cellular and molecular biology. ASM Press, Washington, DC
Orth JD et al (2011) A comprehensive genome-scale reconstruction of Escherichia coli metabolism—2011. Mol Syst Biol 7:535
Yus E et al (2009) Impact of genome reduction on bacterial metabolism and its regulation. Science 326:1263–1268
Wodke JAH et al (2013) Dissecting the energy metabolism in Mycoplasma pneumoniae through genome-scale metabolic modeling. Mol Syst Biol 9:653
Becker SA, Palsson BØ (2005) Genome-scale reconstruction of the metabolic network in Staphylococcus aureus N315: an initial draft to the two-dimensional annotation. BMC Microbiol 5:8
Güell O, Sagués F, Serrano MÁ (2012) Predicting effects of structural stress in a genome-reduced model bacterial metabolism. Sci Rep 2:621
Ma HW, Zeng AP (2005) Reconstruction of metabolic networks from genome information and its structural. Computational systems biology. Academic Press, New York
Kriete A, Eils R (2005) Computational systems biology. Academic Press, New York
Arita M (2004) The metabolic world of Escherichia coli is not small. Proc Natl Acad Sci USA 101(6):1543–1547
Gao JT, Guimerà R, Li H, Pinto IM, Sales-Pardo M, Wai SC, Rubinstein B, Li R (2011) Modular coherence of protein dynamics in yeast cell polarity system. Proc Natl Acad Sci USA 108(18):7647–7652
Fortunato S (2010) Community detection in graphs. Phys Rep 486(3):75–174
Rosvall M, Bergstrom CT (2008) Maps of random walks on complex networks reveal community structure. Proc Natl Acad Sci USA 105:1118–1123
Newman MEJ, Girvan M (2004) Finding and evaluating community structure in networks. Phys Rev E 69(2):026113
Reichardt J, Bornholdt S (2006) Statistical mechanics of community detection. Phys Rev E 74(1):016110
Blondel VD, Guillaume J, Lambiotte R, Lefebvre E (2008) Fast unfolding of communities in large networks. J Stat Mech 10:P10008
Hastie T, Tibshirani R, Friedman J (2009) The elements of statistical learning. Springer, New York
Ahuja RK, Magnanti TL, Orlin JB (1993) Network flows: theory, algorithms, and applications. Prentice Hall, Englewood Cliffs
Ma HW, Zeng AP (2003b) The connectivity stucture, giant strong component and centrality of metabolic networks. Bioinformatics 19:1423–1430
Boguñá M, Ángeles M (2005) Generalized percolation in random directed networks. Phys Rev E 72:016106
Serrano MÁ, De Los P (2008) Structural efficiency of percolated landscapes in flow networks. PLoS ONE 3:e3654
Watts DJ, Strogatz SH (1998) Collective dynamics of ‘small-world’ networks. Nature 393:440–442
Erdös P, Rényi A (1959) On random graphs I. Publ Math Debr 6:290–297
Erdös P, Rényi A (1960) On the evolution of random graphs. Publ Math Inst Hung Acad Sci 5:17–61
Molloy M, Reed B (1995) A critical point for random graphs with a given degree sequence. Random Struct Algorithm 6:161–179
Newman MEJ, Strogatz SH, Watts DJ (2001) Random graphs with arbitrary degree distributions and their applications. Phys Rev E 64:026118
Milo R et al (2002) Network motifs: simple building blocks of complex networks. Science 298(5594):824–827
Smart AG, Amaral LAN, Ottino J (2008) Cascading failure and robustness in metabolic networks. Proc Natl Acad Sci USA 105:13223–13228
Güell O, Sagués F, Basler G, Nikoloski Z, Serrano MÁ (2012) Assessing the significance of knockout cascades in metabolic networks. J Comp Int Sci 3(1–2):45–53
Basler G, Ebenhöh O, Selbig J, Nikoloski Z (2011) Mass-balanced randomization of metabolic networks. Bioinformatics 27:1397–1403
Basler G, Grimbs S, Ebenhöh O, Selbig J, Nikoloski Z (2012) Evolutionary significance of metabolic network properties. J R Soc Interface 9:1168–1176
Costa RS, Machado D, Rocha I, Ferreira EC (2011) Critical perspective on the consequences of the limited availability of kinetic data in metabolic dynamic modelling. IET Syst Biol 5(3):157–163
Schuster S, Dandekar T, Fell DA (1999) Detection of elementary flux modes in biochemical networks: a promising tool for pathway analysis and metabolic engineering. Trends Biotechnol 17(2):53–60
Price N, Reed J, Papin J, Wiback S, Palsson BØ (2003) Network-based analysis of metabolic regulation in the human red blood cell. J Theor Biol 225(2):185–194
Oberhardt MA, Palsson BØ, Papin JA (2009) Applications of genome-scale metabolic reconstructions. Mol Syst Biol 5(1):320
Terzer M, Maynard ND, Covert MW, Stelling J (2009) Genome-scale metabolic networks. Wiley Interdiscip. Rev. Syst. Biol. Med. 1(3):285–297
McCloskey D, Palsson BØ, Feist AM (2013) Basic and applied uses of genome-scale metabolic network reconstructions of Escherichia coli. Mol Syst Biol 9(1):661
Schilling CH, Palsson BØ (1998) The underlying pathway structure of biochemical reaction networks. Proc Natl Acad Sci USA 95:4193–4198
Schilling CH, Edwards JS, Letscher D, Palsson BØ (2000) Combining pathway analysis with flux balance analysis for the comprehensive study of metabolic systems. Biotechnol Bioeng 71:286–306
Makhorin A (2001) GNU linear programming kit. Moscow Aviation Institute, Moscow
Ceron R (2006) The GNU linear programming kit, Part 1: introduction to linear optimization. IBM, Raleigh
Ceron R (2006b) The GNU linear programming kit, Part 2: intermediate problems in linear programming. IBM, Raleigh
Ceron R (2006c) The GNU linear programming kit, Part 3: advanced problems and elegant solutions. IBM, Raleigh
Murty KG (1983) Linear programming, vol 57. Wiley, New York
Sezonov G, Joseleau-Petit D, D’Ari R (2007) Escherichia coli physiology in Luria-Bertani broth. J Bacteriol 189:8746–8749
Wunderlich Z, Mirny LA (2006) Using the topology of metabolic networks to predict viability of mutant straints. Biophys J 91:2304–2311
Müller AC, Bockmayr A (2013) Fast thermodynamically constrained flux variability analysis. Bioinformatics 29:903–909
Reed JL, Palsson BØ (2004) Genome-scale in silico models of E. coli have multiple equivalent phenotypic states: assessment of correlated reaction subsets that comprise network states. Genome Res 14(9):1797–1805
Güell O, Sagués F, Serrano MÁ (2014) Essential plasticity and redundancy of metabolism unveiled by synthetic lethality analysis. PLoS Comput Biol 10(5):e1003637
Duarte NC, Herrgard MJ, Palsson BØ (2004) Reconstruction and validation of Saccharomyces cerevisiae iND750, a fully compartmentalized genome-scale metabolic model. Genome Res 14:1298–1309
Feist AM, Scholten JCM, Palsson BØ, Brockman FJ, Ideker T (2004) Modeling methanogenesis with a genome-scale metabolic reconstruction of Methanosarcina barkeri. Mol Syst Biol 2:2006
Duarte NC, Becker SS, Jamshidi N, Thiele I, Mo ML, Vo TD, Srivas R, Palsson BØ (2007) Global reconstruction of the human metabolic network based on genomic and bibliomic data. Proc Natl Acad Sci USA 104(6):1777–1782
Jamshidi N, Palsson BØ (2007) Investigating the metabolic capabilities of Mycobacterium tuberculosis H37Rv using the in silico strain iNJ661 and proposing alternative drug targets. BMC Syst Biol 1:26
Feist AM, Herrgård MJ, Thiele I, Reed JL, Palsson BØ (2008) Reconstruction of biochemical networks in microorganisms. Nat Rev Microbiol 7(2):129–143
Senger RS, Papoutsakis ET (2008) Genome-scale model for Clostridium acetobutylicum: part I. Metabolic network resolution and analysis. Biotechnol Bioeng 101(5):1036–1052
Raghunathan A, Reed J, Shin S, Palsson BØ, Daefler S (2009) Constraint-based analysis of metabolic capacity of Salmonella typhimurium during host-pathogen interaction. BMC Syst Biol 3(1):38
Thiele I et al (2013) A community-driven global reconstruction of human metabolism. Nat Biotechnol 31(5):419–425
Schellenberger J, Park JO, Conrad TC, Palsson BØ (2010) BiGG: a biochemical genetic and genomic knowledgebase of large scale metabolic reconstructions. BMC Bioinform 11:213
Kanehisa M, Goto S (2000) KEGG: kyoto encyclopedia of genes and genomes. Nucleic Acids Res 28(1):27–30
Caspi R et al (2012) The metacyc database of metabolic pathways and enzymes and the biocyc collection of pathway/genome databases. Nucleic Acids Res 40(D1):D742–D753
Schomburg I et al (2012) BRENDA in 2013: integrated reactions, kinetic data, enzyme function data, improved disease classification: new options and contents in BRENDA. Nucleic Acids Res 41:D764–D772
Edwards JS, Ibarra RU, Palsson BØ (2000) The Escherichia coli MG1655 in silico metabolic genotype: its definition, characteristics, and capabilities. Proc Natl Acad Sci USA 97:5528–5533
Reed JL, Vo TD, Schilling CH, Palsson BØ (2003) An expanded genome-scale model of Escherichia coli K-12 (iJR904 GSM/GPR). Genome Biol 4(9):R54
Riley M et al (2006) Escherichia coli K-12: a cooperatively developed annotation snapshot-2005. Nucleic Acids Res 34(1):1–9
Keseler IM et al (2005) EcoCyc: a comprehensive database resource for Escherichia coli. Nucleic Acids Res 33(suppl 1):D334–D337
Keseler IM et al (2009) EcoCyc: a comprehensive view of Escherichia coli biology. Nucleic Acids Res 37(suppl 1):D464–D470
Kanehisa M, Goto S, Furumichi M, Tanabe M, Hirakawa M (2010) KEGG for representation and analysis of molecular networks involving diseases and drugs. Nucleic Acids Res 38(suppl 1):D355–D360
Kühner S et al (2009) Proteome organization in a genome-reduced bacterium. Science 326:1235–1240
Güell M et al (2009) Transcriptome complexity in a genome-reduced bacterium. Science 326:1268–1271
Kuroda M et al (2001) Whole genome sequencing of meticillin-resistant Staphylococcus aureus. Lancet 357(9264):1225–1240
Peterson JD, Umayam LA, Dickinson T, Hickey EK, White O (2001) The comprehensive microbial resource. Nucleic Acids Res 29(1):123–125
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Güell, O. (2017). Methods and Data. In: A Network-Based Approach to Cell Metabolism. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-64000-6_2
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