Energy-based Analysis of Biomolecular Pathways

TL;DR

This paper introduces an energy-based pathway analysis method for biomolecular networks using bond graphs, enabling insights into energy flows and efficiency in metabolic and transport processes.

Contribution

It extends traditional stoichiometric analysis by incorporating energy flow analysis through a novel bond graph framework for biomolecular networks.

Findings

Applied to glycolysis for demonstration

Analyzed energy transduction in SGLT1 transporter

Provided a framework for energy-aware biomolecular modeling

Abstract

Decomposition of biomolecular reaction networks into pathways is a powerful approach to the analysis of metabolic and signalling networks. Current approaches based on analysis of the stoichiometric matrix reveal information about steady-state mass flows (reaction rates) through the network. In this work we show how pathway analysis of biomolecular networks can be extended using an energy-based approach to provide information about energy flows through the network. This energy-based approach is developed using the engineering-inspired bond graph methodology to represent biomolecular reaction networks. The approach is introduced using glycolysis as an exemplar; and is then applied to analyse the efficiency of free energy transduction in a biomolecular cycle model of a transporter protein (Sodium-Glucose Transport Protein 1, SGLT1). The overall aim of our work is to present a framework for modelling and analysis of biomolecular reactions and processes which considers energy flows and losses as well as mass transport.