Abstract

We previously developed the biochemical reaction simulator WinBEST-KIT. In recent years, research interest has shifted from analysis of individual biochemical reactions to analysis of metabolic pathways as systems. These large-scale and complicated metabolic pathways can be considered as characteristic multi-layered structures, which, for convenience, are separated from whole biological systems according to their specific roles. These pathways include reactants having the same name but with unique stoichiometric coefficients arranged across many different places and connected between arbitrary layers. Accordingly, in this study, we have developed a new version of WinBEST-KIT that allows users (1) to utilize shortcut symbols that can be arranged with multiple reactants having the same name but with unique stoichiometric coefficients, thereby providing a layout that is similar to metabolic pathways depicted in biochemical textbooks; (2) to create layers that divide large-scale and complicated metabolic pathways according to their specific roles; (3) to connect the layers by using shortcut symbols; and (4) to analyze the interactions between these layers. These new and existing features allow users to create and analyze such multi-layered metabolic pathways efficiently. Furthermore, WinBEST-KIT supports SBML, making it possible for users to utilize these new and existing features to create and publish SBML models.

Highlights

  • With recent progress in molecular biology, understanding of the molecular mechanisms of individual biochemical reactions has advanced at a rapid pace

  • Static knowledge on the molecular level does not provide insights into the functional properties of whole biological systems, and, research interest has shifted from analysis of individual biochemical reactions to analysis of metabolic pathways as systems

  • In this study, we have developed a new version of WinBEST-KIT that allows users (1) to utilize shortcut symbols that can be arranged with multiple reactants having the same name but with unique stoichiometric coefficients, thereby providing a layout that is similar to metabolic pathways depicted in biochemical textbooks; (2) to create layers that divide large-scale and complicated metabolic pathways according to their specific roles; (3) to connect the layers by using shortcut symbols; and (4) to analyze the interactions between these layers

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Summary

Introduction

With recent progress in molecular biology, understanding of the molecular mechanisms of individual biochemical reactions has advanced at a rapid pace. The problem considered here is that, owing to the increase in the scale and complexity of metabolic pathways analyzed in recent years, creating models using a diagrammed modeling interface involving many symbols becomes progressively more difficult as a consequence of the inevitable poor visibility that this scale and complexity causes These large-scale and complicated metabolic pathways can be considered as characteristic multi-layered structures, which, for convenience, are separated from whole biological systems according to their specific roles. In this study, we have developed a new version of WinBEST-KIT that allows users (1) to utilize shortcut symbols that can be arranged with multiple reactants having the same name but with unique stoichiometric coefficients, thereby providing a layout that is similar to metabolic pathways depicted in biochemical textbooks; (2) to create layers that divide large-scale and complicated metabolic pathways according to their specific roles; (3) to connect the layers by using shortcut symbols; and (4) to analyze the interactions between these layers. WinBEST-KIT supports SBML, making it possible for users to utilize these new and existing features to create and publish SBML models

Overview of WinBEST-KIT
Considerations for Multi-Layered Metabolic Pathways
Implementation of New Features for Analyzing Multi-Layered Metabolic Pathways
Arrange Shortcut Symbols with Unique Stoichiometric Coefficients
Multi-Layered Metabolic Pathways
Applying Shortcut Symbols and Layers to Imported SBML Models
Performance of Computational Time
Future Developments
Conclusions
Full Text
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