scholarly journals Accelerating flux balance calculations in genome-scale metabolic models by localizing the application of loopless constraints

2018 ◽  
Author(s):  
Siu H J Chan ◽  
Lin Wang ◽  
Satyakam Dash ◽  
Costas D Maranas
Keyword(s):  
Flux Balance ◽  
Metabolic Models ◽  
Genome Scale

Critical assessment of genome-scale metabolic models of Arabidopsis thaliana

2022 ◽  
Author(s):  
Javad Zamani ◽  
Sayed-Amir Marashi ◽  
Tahmineh Lohrasebi ◽  
Mohammad-Ali Malboobi ◽  
Esmail Foroozan
Keyword(s):  
Arabidopsis Thaliana ◽  
Flux Balance Analysis ◽  
Critical Assessment ◽  
Flux Balance ◽  
Balance Analysis ◽  
Metabolic Models ◽  
Living Organisms ◽  
Genome Scale

Genome-scale metabolic models (GSMMs) have enabled researchers to perform systems-level studies of living organisms. As a constraint-based technique, flux balance analysis (FBA) aids computation of reaction fluxes and prediction of...

scholarly journals The ModelSEED Database for the integration of metabolic annotations and the reconstruction, comparison, and analysis of metabolic models for plants, fungi, and microbes

2020 ◽  
Author(s):  
Samuel M. D. Seaver ◽  
Filipe Liu ◽  
Qizhi Zhang ◽  
James Jeffryes ◽  
José P. Faria ◽  
...  
Keyword(s):  
Metabolic Pathways ◽  
Draft Genome ◽  
Biochemical Network ◽  
Plant Genomes ◽  
Flux Balance ◽  
Rosetta Stone ◽  
Balance Analysis ◽  
Comparison And Analysis ◽  
Metabolic Models ◽  
Genome Scale

ABSTRACTFor over ten years, ModelSEED has been a primary resource for the construction of draft genome-scale metabolic models based on annotated microbial or plant genomes. Now being released, the biochemistry database serves as the foundation of biochemical data underlying ModelSEED and KBase. The biochemistry database embodies several properties that, taken together, distinguish it from other published biochemistry resources by: (i) including compartmentalization, transport reactions, charged molecules and proton balancing on reactions;; (ii) being extensible by the user community, with all data stored in GitHub; and (iii) design as a biochemical “Rosetta Stone” to facilitate comparison and integration of annotations from many different tools and databases. The database was constructed by combining chemical data from many resources, applying standard transformations, identifying redundancies, and computing thermodynamic properties. The ModelSEED biochemistry is continually tested using flux balance analysis to ensure the biochemical network is modeling-ready and capable of simulating diverse phenotypes. Ontologies can be designed to aid in comparing and reconciling metabolic reconstructions that differ in how they represent various metabolic pathways. ModelSEED now includes 33,978 compounds and 36,645 reactions, available as a set of extensible files on GitHub, and available to search at https://modelseed.org and KBase.

scholarly journals Modeling the Differences in Biochemical Capabilities ofPseudomonasSpecies by Flux Balance Analysis: How Good Are Genome-Scale Metabolic Networks at Predicting the Differences?

2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
Parizad Babaei ◽  
Tahereh Ghasemi-Kahrizsangi ◽  
Sayed-Amir Marashi
Keyword(s):  
In Silico ◽  
Metabolic Networks ◽  
Closely Related Species ◽  
Systematic Analysis ◽  
Reconstruction Process ◽  
Flux Balance ◽  
Wide Range ◽  
Balance Analysis ◽  
Metabolic Models ◽  
Genome Scale

To date, several genome-scale metabolic networks have been reconstructed. These models cover a wide range of organisms, from bacteria to human. Such models have provided us with a framework for systematic analysis of metabolism. However, little effort has been put towards comparing biochemical capabilities of closely related species using their metabolic models. The accuracy of a model is highly dependent on the reconstruction process, as some errors may be included in the model during reconstruction. In this study, we investigated the ability of threePseudomonasmetabolic models to predict the biochemical differences, namely, iMO1086, iJP962, and iSB1139, which are related toP. aeruginosaPAO1,P. putidaKT2440, andP. fluorescensSBW25, respectively. We did a comprehensive literature search for previous works containing biochemically distinguishable traits over these species. Amongst more than 1700 articles, we chose a subset of them which included experimental results suitable forin silicosimulation. By simulating the conditions provided in the actual biological experiment, we performed case-dependent tests to compare thein silicoresults to the biological ones. We found out that iMO1086 and iJP962 were able to predict the experimental data and were much more accurate than iSB1139.

scholarly journals The ModelSEED Biochemistry Database for the integration of metabolic annotations and the reconstruction, comparison and analysis of metabolic models for plants, fungi and microbes

2020 ◽  
Vol 49 (D1) ◽  
pp. D575-D588
Author(s):  
Samuel M D Seaver ◽  
Filipe Liu ◽  
Qizhi Zhang ◽  
James Jeffryes ◽  
José P Faria ◽  
...  
Keyword(s):  
Metabolic Pathways ◽  
Draft Genome ◽  
Biochemical Network ◽  
Plant Genomes ◽  
Flux Balance ◽  
Rosetta Stone ◽  
Balance Analysis ◽  
Comparison And Analysis ◽  
Metabolic Models ◽  
Genome Scale

Abstract For over 10 years, ModelSEED has been a primary resource for the construction of draft genome-scale metabolic models based on annotated microbial or plant genomes. Now being released, the biochemistry database serves as the foundation of biochemical data underlying ModelSEED and KBase. The biochemistry database embodies several properties that, taken together, distinguish it from other published biochemistry resources by: (i) including compartmentalization, transport reactions, charged molecules and proton balancing on reactions; (ii) being extensible by the user community, with all data stored in GitHub; and (iii) design as a biochemical ‘Rosetta Stone’ to facilitate comparison and integration of annotations from many different tools and databases. The database was constructed by combining chemical data from many resources, applying standard transformations, identifying redundancies and computing thermodynamic properties. The ModelSEED biochemistry is continually tested using flux balance analysis to ensure the biochemical network is modeling-ready and capable of simulating diverse phenotypes. Ontologies can be designed to aid in comparing and reconciling metabolic reconstructions that differ in how they represent various metabolic pathways. ModelSEED now includes 33,978 compounds and 36,645 reactions, available as a set of extensible files on GitHub, and available to search at https://modelseed.org/biochem and KBase.

scholarly journals Understanding the host-microbe interactions using metabolic modeling

Microbiome ◽  
2021 ◽  
Vol 9 (1) ◽  
Author(s):  
Jack Jansma ◽  
Sahar El Aidy
Keyword(s):  
Human Health ◽  
Flux Balance Analysis ◽  
Bacterial Species ◽  
Flux Balance ◽  
Interaction Field ◽  
In Silico Simulation ◽  
Balance Analysis ◽  
Microbe Interactions ◽  
Host Microbe Interactions ◽  
Genome Scale

AbstractThe human gut harbors an enormous number of symbiotic microbes, which is vital for human health. However, interactions within the complex microbiota community and between the microbiota and its host are challenging to elucidate, limiting development in the treatment for a variety of diseases associated with microbiota dysbiosis. Using in silico simulation methods based on flux balance analysis, those interactions can be better investigated. Flux balance analysis uses an annotated genome-scale reconstruction of a metabolic network to determine the distribution of metabolic fluxes that represent the complete metabolism of a bacterium in a certain metabolic environment such as the gut. Simulation of a set of bacterial species in a shared metabolic environment can enable the study of the effect of numerous perturbations, such as dietary changes or addition of a probiotic species in a personalized manner. This review aims to introduce to experimental biologists the possible applications of flux balance analysis in the host-microbiota interaction field and discusses its potential use to improve human health.

scholarly journals Why does yeast ferment? A flux balance analysis study

2010 ◽  
Vol 38 (5) ◽  
pp. 1225-1229 ◽  
Author(s):  
Evangelos Simeonidis ◽  
Ettore Murabito ◽  
Kieran Smallbone ◽  
Hans V. Westerhoff
Keyword(s):  
Flux Balance Analysis ◽  
Energy Cost ◽  
Yeast Fermentation ◽  
Minimal Amount ◽  
Aerobic Growth ◽  
Analysis Study ◽  
Flux Balance ◽  
Balance Analysis ◽  
Genome Scale ◽  
Excess Glucose

Advances in biological techniques have led to the availability of genome-scale metabolic reconstructions for yeast. The size and complexity of such networks impose limits on what types of analyses one can perform. Constraint-based modelling overcomes some of these restrictions by using physicochemical constraints to describe the potential behaviour of an organism. FBA (flux balance analysis) highlights flux patterns through a network that serves to achieve a particular objective and requires a minimal amount of data to make quantitative inferences about network behaviour. Even though FBA is a powerful tool for system predictions, its general formulation sometimes results in unrealistic flux patterns. A typical example is fermentation in yeast: ethanol is produced during aerobic growth in excess glucose, but this pattern is not present in a typical FBA solution. In the present paper, we examine the issue of yeast fermentation against respiration during growth. We have studied a number of hypotheses from the modelling perspective, and novel formulations of the FBA approach have been tested. By making the observation that more respiration requires the synthesis of more mitochondria, an energy cost related to mitochondrial synthesis is added to the FBA formulation. Results, although still approximate, are closer to experimental observations than earlier FBA analyses, at least on the issue of fermentation.

Model-guided identification of novel gene amplification targets for improving succinate production in Escherichia coli NZN111

2017 ◽  
Vol 9 (10) ◽  
pp. 830-835 ◽  
Author(s):  
Xingxing Jian ◽  
Ningchuan Li ◽  
Qian Chen ◽  
Qiang Hua
Keyword(s):  
Escherichia Coli ◽  
Metabolic Engineering ◽  
Gene Amplification ◽  
Metabolic Networks ◽  
Computational Analysis ◽  
Succinate Production ◽  
Novel Gene ◽  
Metabolic Models ◽  
Genome Scale

Reconstruction and application of genome-scale metabolic models (GEMs) have facilitated metabolic engineering by providing a platform on which systematic computational analysis of metabolic networks can be performed.

scholarly journals A metabolite-centric view on flux distributions in genome-scale metabolic models

2013 ◽  
Vol 7 (1) ◽  
pp. 33 ◽  
Author(s):  
S Riemer ◽  
René Rex ◽  
Dietmar Schomburg
Keyword(s):  
Metabolic Models ◽  
Genome Scale

scholarly journals Consistency, Inconsistency and Ambiguity of Metabolite Names in Biochemical Databases Used for Genome Scale Metabolic Modelling

2018 ◽  
Author(s):  
Nhung Pham ◽  
Ruben Van Heck ◽  
Jesse van Dam ◽  
Peter Schaap ◽  
Edoardo Saccenti ◽  
...  
Keyword(s):  
Systems Medicine ◽  
Biochemical Reactions ◽  
Metabolic Modelling ◽  
Research Areas ◽  
Limit Model ◽  
Metabolic Models ◽  
Genome Scale ◽  
Manual Verification

Genome scale metabolic models (GEMs) are manually curated repositories describing the metabolic capabilities of an organism. GEMs have been successfully used in different research areas, ranging from systems medicine to biotechnology. However, the different naming conventions (namespaces) of databases used to build GEMs limit model reusability and prevent the integration of existing models. This problem is known in the GEM community but its extent has not been analyzed in depth. In this study, we investigate the name ambiguity and the multiplicity of non-systematic identifiers and we highlight the (in)consistency in their use in eleven biochemical databases of biochemical reactions and the problems that arise when mapping between different namespaces and databases. We found that such inconsistencies can be as high as 83.1%, thus emphasizing the need for strategies to deal with these issues. Currently, manual verification of the mappings appears to be the only solution to remove inconsistencies when combining models. Finally, we discuss several possible approaches to facilitate (future) unambiguous mapping.

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