Design of a directed molecular network
| Autor: | M. Reza Ghadiri, Maneesh K. Yadav, Gonen Ashkenasy, Reshma Jagasia |
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| Rok vydání: | 2004 |
| Předmět: |
Models
Molecular Power graph analysis Multidisciplinary Molecular Sequence Data Complex system Templates Genetic Top-down and bottom-up design Complex network Bioinformatics Catalysis Peptide Fragments Kinetics Network motif Nonlinear system Physical Sciences Graph (abstract data type) Amino Acid Sequence Peptides Biological system Autocatalytic set |
| Zdroj: | Proceedings of the National Academy of Sciences. 101:10872-10877 |
| ISSN: | 1091-6490 0027-8424 |
| DOI: | 10.1073/pnas.0402674101 |
| Popis: | An ability to rationally design complex networks from the bottom up can offer valuable quantitative model systems for use in gaining a deeper appreciation for the principles governing the self-organization and functional characteristics of complex systems. We report herein the de novo design, graph prediction, experimental analysis, and characterization of simple self-organized, nonlinear molecular networks. Our approach makes use of the sequence-dependant auto- and cross-catalytic functional characteristics of template-directed peptide fragment condensation reactions in neutral aqueous solutions. Starting with an array of 81 sequence similar 32-residue coiled-coil peptides, we estimated the relative stability difference between all plausible A 2 B-type coiled-coil ensembles and used this information to predict the auto- and cross-catalysis pathways and the resulting plausible network motif and connectivities. Similar to most complex systems, the generated graph displays clustered nodes with an overall hierarchical architecture. To test the validity of the design principles used, nine nodes composing a main segment of the graph were experimentally analyzed for their capacity in establishing the predicted network connectivity. The resulting self-organized chemical network is shown to display 25 directed edges in good agreement with the graph analysis estimations. Moreover, we show that by varying the system parameters (presence or absence of certain substrates or templates), its operating network motif can be altered, even to the extremes of turning pathways on or off. We suggest that this approach can be expanded for the construction of large-scale networks, offering a means to study and to understand better the emergent, collective behaviors of networks. |
| Databáze: | OpenAIRE |
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