Fig. 1: BioPKS pipeline reaches target molecules in silico by first constructing their carbon backbone and then performing structural refinements. | Nature Communications

Fig. 1: BioPKS pipeline reaches target molecules in silico by first constructing their carbon backbone and then performing structural refinements.

From: Merging the computational design of chimeric type I polyketide synthases with enzymatic pathways for chemical biosynthesis

Fig. 1

BioPKS pipeline uses both multifunctional type I polyketide synthases (PKSs) and monofunctional enzymes for chemical biosynthesis. Our platform is built upon two key rule-based components – RetroTide and DORAnet. When a user inputs a target structure, RetroTide first suggests chimeric PKS designs to synthesize the carbon backbone of this target. DORAnet then performs enzymatic post-PKS decorations of the PKS product to reach the target chemical. If an integrated PKS and post-PKS pathway design is found, the user can collect this design from BioPKS pipeline for future experimental synthesis in the laboratory.

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