出版社：Vilnius University, University of Latvia, Latvia University of Agriculture, Institute of Mathematics and Informatics of University of Latvia
摘要：One of most important stages of metabolic engineering is organism design. One of methods that allows process design is modeling or in silico approach. Application of biological models instead of biological experiments is cheaper and does not require specific resources. sAnalyzer tool uses reactions data to construct new metabolic pathways and predict its feasibility to transform one metabolite to another one using particular chassis organism represented by a model. sAnalyzer searches possible reactions connections in full solution space of all accessible reactions. One of reaction parameters used to predict its flow direction is reaction thermodynamic data - Gibbs free energy (ΔrG) value, which shows how much energy is needed for reaction to flow in specific direction. sAnalyzer tool demonstrates how thermodynamic thresholds of ΔrG value impacts possible solution space of metabolites transformation pathways on the example of using glycerol as substrate for bacteria Z.mobilis model. The solutions are ranked by flux over the pathway of interest, biomass production ability and integrated parameters derived from involved metabolites and reactions.
关键词：metabolic pathways analysis; thermodynamic data; sAnalyzer tool; solution space
