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@ARTICLE{Rother:890755,
      author       = {Rother, Dörte and Malzacher, Stephan},
      title        = {{C}omputer-aided enzymatic retrosynthesis},
      journal      = {Nature catalysis},
      volume       = {4},
      number       = {2},
      issn         = {2520-1158},
      address      = {[London]},
      publisher    = {Macmillan Publishers Limited, part of Springer Nature},
      reportid     = {FZJ-2021-01172},
      pages        = {92 - 93},
      year         = {2021},
      abstract     = {Biocatalysis makes use of nature’s ability to carry out
                      an incredible number of chemical reactions with excellent
                      selectivity. Since enzymes are biodegradable and operate
                      under mild reaction conditions without producing significant
                      amounts of toxic compounds, biocatalysis can be considered
                      an environmentally friendly alternative to traditional
                      synthesis strategies. The possibility of starting from
                      renewable raw materials is a further advantage when it comes
                      to developing more sustainable production strategies. New
                      enzymes or even entire classes of enzymes are discovered
                      every day. Some of them find their way to industrial
                      scale1,2. In addition, new bioinformatics tools — in
                      combination with molecular biology methods, the integration
                      of non-natural scaffolds and the introduction of complete
                      reaction sequences in microbial hosts — further extend the
                      applicability and diversity of enzymes as catalysts3,4,5.
                      Although, in the past, single-step biocatalysis was mainly
                      investigated in the academic field and applied in industry,
                      the complexity of the reaction pathways and the number of
                      publications with enzymatic multi-step processes are
                      constantly increasing. To get an overview of known
                      biocatalysis pathways/cascades or to get ideas for de novo
                      biotransformations, it has so far been necessary to consult
                      databases or to search in overviews, such as reviews or even
                      textbooks6,7. Recent developments in computer-aided
                      synthesis planning (CASP) facilitate and accelerate
                      synthesis design in synthetic biology as well as organic
                      chemistry. However, enzyme-catalysed steps are
                      under-represented in freely available and commercially
                      chemical CASP tools, and in synthetic biology CASPs the
                      promiscuity of enzymes is not yet fully embedded. This
                      situation has now changed. Writing in Nature Catalysis8,
                      Sabine Flitsch, Nicholas Turner and co-workers disclose an
                      intuitive tool for the computer-aided design of biocatalytic
                      cascades, RetroBioCat, which is freely available at
                      retrobiocat.com.},
      cin          = {IBG-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IBG-1-20101118},
      pnm          = {2171 - Biological and environmental resources for
                      sustainable use (POF4-217)},
      pid          = {G:(DE-HGF)POF4-2171},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000619812800002},
      doi          = {10.1038/s41929-021-00582-5},
      url          = {https://juser.fz-juelich.de/record/890755},
}