RetroPath2.0

RetroPath2.0 constructs retrosynthetic reaction networks from specified source compounds to target sink compounds using generalized reaction rules to support pathway design in synthetic biology and metabolic engineering.

Key Features:

• Automated retrosynthesis search: Leverages generalized reaction rules to automate retrosynthetic searches and generate candidate reactions.
• Reaction network construction: Builds reaction networks linking specified source compounds to target sink compounds.
• Exploration of large combinatorial spaces: Addresses the complexity of large combinatorial retrosynthesis design spaces for chemical biosynthetic exploration.
• Enzyme promiscuity analysis: Identifies alternative biosynthetic routes by accounting for enzyme promiscuity.
• Biosensor development support: Facilitates identification of pathways and compounds relevant to biosensor design.
• DBTL pipeline support: Enables pathway design that can be used to optimize bioproduction and streamline design-build-test-learn efforts.

Scientific Applications:

• Compound production expansion: Expands the chemical repertoire available for next-generation compound production in synthetic biology.
• Metabolic engineering: Supports design and optimization of biosynthetic pathways for industrial biotechnology applications.
• Pathway discovery: Identifies alternative biosynthetic routes and novel pathway candidates via enzyme promiscuity analysis.
• Biosensor engineering: Aids development of biosensors by identifying relevant metabolic conversions and target compounds.

Methodology:

RetroPath2.0 applies generalized reaction rules to automate retrosynthesis searches and construct reaction networks from specified source compounds to target sink compounds, integrating tools from the bioinformatics and cheminformatics communities.