Similarity based enzymatic retrosynthesis

Autor: Karthik Sankaranarayanan, Esther Heid, Connor W. Coley, Deeptak Verma, William H. Green, Klavs F. Jensen
Rok vydání: 2022
Předmět:
Zdroj: Chemical science. 13(20)
ISSN: 2041-6520
Popis: Enzymes synthesize complex natural products effortlessly by catalyzing chemo-, regio-, and enantio-selective transformations. Further, biocatalytic processes are increasingly replacing conventional organic synthesis steps because they use mild solvents, avoid the use of metals, and reduce overall non-biodegradable waste. Here, we present a single-step retrosynthesis search algorithm to facilitate enzymatic synthesis of natural product analogs. First, we develop a tool, RDEnzyme, capable of extracting and applying stereochemically consistent enzymatic reaction templates
Databáze: OpenAIRE