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Abstrakty
In this paper we propose a mathematical model of the proteolysis process. Protein digestion is modelled with the use of chemical master equation (CME), i.e. the system of stochastic differential equations corresponding to the network of enzymatic reactions. We present an efficient approach to model parameters’ estimation (i.e. enzyme activities) from time series of mass spectrometry data. These results extend previous results in three directions: by relaxing the stationarity of the proteolysis process assumption, by allowing cuts at arbitrary sites in the peptide sequence and by incorporating knowledge from biological databases.
Wydawca
Czasopismo
Rocznik
Tom
Strony
89--104
Opis fizyczny
Bibliogr. 29 poz., wykr.
Twórcy
autor
autor
- Institute of Informatics, University of Warsaw, 02-097 Warsaw, Poland, aniag@mimuw.edu.pl
Bibliografia
- [1] Breiman, L.: Random Forests, Mach. Learn., 45, 2001, 123-140.
- [2] Carol-Visser, J., van der Schans, M., Fidder, A., Hulst, A. G., van Baar, B. L., Irth, H., Noort, D.: Development of an automated on-line pepsin digestion-liquid chromatography-tandem mass spectrometry configuration for the rapid analysis of protein adducts of chemical warfare agents, Journal of Chromatography B, 870(1), July 2008, 91-97.
- [3] Ciliberto, A., Capuani, F., Tyson, J. J.: Modeling Networks of Coupled Enzymatic Reactions Using the Total Quasi-Steady State Approximation, PLoS Comput. Biol., 3(3), 2007, e45.
- [4] Diamandis, E. P.: Proteomic patterns in biological fluids: Do they represent the future of cancer diagnostics?, Clin. Chem., 49, 2003, 1272-1275.
- [5] Diamandis, E. P.: Mass spectrometry as a diagnostic and a cancer biomarker discovery tool: Opportunities and potential limitations, Mol. Cell. Proteomics, 3, 2004, 367-378.
- [6] Esparza, J.: Petri nets, commutative context-free grammars, and basic parallel processes, Fundam. Inf., 31(1), 1997, 13-25.
- [7] Gambin, A., Dutkowski, J., Karczmarski, J., Kluge, B., Kowalczyk, K., Ostrowski, J., Poznański, J., Tiuryn, J., Bakun, M., Dadlez, M.: Automated reduction and interpretation of multidimensional mass spectra for analysis of complex peptide mixtures, Int. J. Mass Spectrom., 260, 2007, 20-30.
- [8] Gelenbe, E.: Network of interacting synthetic molecules in steady state, Proceedings of the Royal Society A: Mathematical, Physical and Engine ering Science, 464(2096), 2008, 2219-2228.
- [9] Goddard, T., Kneller, D.: SPARKY 3, TR University of California, San Francisco.
- [10] Goldobin, D. S., Zaikin, A.: Towards quantitative prediction of proteasomal digestion patterns of pr oteins, Journal of Statistical Mechanics: Theory and Experiment, 2009(01), 2009, P01009 (14pp).
- [11] Igarashi, Y., Eroshkin, A., Gramatikova, S., Gramatikoff, G., Zhang, Y., Smith, J., Osterman, A., Godzik, A.: CutDB: a proteolytic event database, Nucleic Acids Res., 2007.
- [12] Jahnke, T., Huisinga, W.: Solving the chemical master equation for monomolecular reaction systems analytically, Journal of Mathematical Biology, 54(1), 2007, 1-26.
- [13] Kluge, B., Gambin, A., Niemiro, W.: Modeling exopeptidase activity from LC-MS data, J. Comput. Biol., 16(2), 2009, 395-406.
- [14] Koomen, J. M., Li, D., Xiao, L.-c., Liu, T. C., Coombes, K. R., Abbruzzese, J., Kobayashi, R.: Direct Tandem Mass Spectrometry Reveals Limitations in Protein Profiling Experiments for Plasma Biomarker Discovery, J. Proteome Res., 4(3), 2005, 972-981.
- [15] Liotta, L. A., Petricoin, E. F.: Serum peptidome for cancer detection: spinning biologic trash into diagnostic gold, J. Clin. Invest., 116(1), 2006, 26-30.
- [16] Lu, P., Nocedal, J., Zhu, C., Byrd, R. H.: A Limited-Memory Algorithm for Bound Constrained Optimization, SIAM Journal on Scientific Computing, 16, 1994, 1190-1208.
- [17] Mallick, P., Schirle, M., Chen, S. S., Flory, M. R., Lee, H., Martin, D., Ranish, J., Raught, B., Schmitt, R., Werner, T., Kuster, B., Aebersold, R.: Computational prediction of proteotypic peptides for quantitative proteomics, Nat. Biotechnol., 25(1), 2007, 125-131.
- [18] Matrisian, L., Sledge, G.W. Mohlaet, S.: Extracellular Proteolysis and Cancer: Meeting Summary and Future Directions, Cancer Research, 63(19), 2003, 6105-6109.
- [19] Moler, C., Loan, C. V.: Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later, SIAM Review, 45(1), 2003, 3-49.
- [20] Moles, C. G., Mendes, P., Banga, J. R.: Parameter estimation in biochemical pathways: a comparison of global optimization methods, Genome Research, 13, 2003, 2467-2474.
- [21] Nocedal, J., Wright, S. J.: Numerical optimization, Springer, 1999.
- [22] Pahle, J.: Biochemical simulations: stochastic, approximate stochastic and hybrid approaches, Brief Bioinform, 10(1), 2009, 53-64.
- [23] R Development Core Team: R: A Language and Environment for Statistical Computing, R Foundation for Statistical Computing, Vienna, Austria, 2009.
- [24] Rawlings, N. D., Barrett, A. J.: MEROPS: the peptidase database, Nucleic Acids Res., 28(1), 2000, 323-325.
- [25] Reznik, S. E., Fricker, L. D.: Carboxypeptidases from A to Z: implications in embryonic development and Wnt binding, Cell. Mol. Life Sci., 58(12-13), 2001, 1790-1804.
- [26] Turner, T. E., Schnell, S., Burrage, K.: Stochastic approaches for modelling in vivo reactions, Computational Biology and Chemistry, 28, 2004, 165-178.
- [27] Villanueva, J., Martorella, A., Lawlor, K., Philip, J., Fleisher, M., Robbins, R., P, T.: Serum peptidome patterns that distinguish metastatic thyroid carcinoma from cancer-free controls are unbiased by gender and age, Mol. Cell. Proteomics, 5, 2006, 1840-1852.
- [28] Villanueva, J., Nazarian, A., Lawlor, K., San, S. Y., Robbins, R. J., Tempst, P.: A sequence-specific exopeptidase activity test (SSEAT) for 'functional' biomarker discovery, Mol. Cell. Proteomics, 7(3), 2008, 509-518.
- [29] Villanueva, J., Shaffer, D. R., Philip, J., Chaparro, C. A., Erdjument-Bromage, H., Olshen, A. B., Fleisher, M., Lilja, H., Brogi, E., Boyd, J., Sanchez-Carbayo, M., Holland, E. C., Cordon-Cardo, C., Scher, H. I., Tempst, P.: Differential exoprotease activities confer tumor-specific serum peptidome patterns, J. Clin. Invest., 116(1), 2006, 271-284.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUS8-0011-0005