Accurate modeling of metabolic pathways for drug target identification and industrial production processes

PEACCEL and partners underline in the June 2022 issue of the peer-
reviewed journal Frontiers in Artificial intelligence how non-linearity is crucial when
modeling metabolic pathways for the identification of biomarkers of diseases or
optimizing industrial production processes.
Exemplified for:

  • The Entamoeba histolytica glycolysis, one of the major metabolic pathways of the parasite
  • The peroxide detoxification pathway of Trypanosoma cruzi
  • The industrial-scale penicillin fermentation process of Penicillium chrysogenum

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PEACCEL co-authored a critical review on VHH structural modelling approaches with its academic partners

VHH, i.e., VH domains of camelid single-chain antibodies, are very promising therapeutic agents due to their significant physicochemical advantages compared to classical mammalian antibodies. Unfortunately, most VHHs do not have 3D structures. This review presents the most extensive overview of structure prediction methods applied for the 3D modelling of a given VHH sequence (a total of 21). AlphaFold 2 and NanoNet appear to be the best tools to predict a structural model of VHH from its sequence.

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