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Journal of Genetic Engineering and Biotechnology

Table 3 Acetaminophen/paracetamol bio-degradation products physicochemical properties, bioavailability radar charts, lipophilicity, Lipinski rule in silico prediction

From: Acetaminophen-traces bioremediation with novel phenotypically and genotypically characterized 2 Streptomyces strains using chemo-informatics, in vivo, and in vitro experiments for cytotoxicity and biological activity

  1. Physicochemical properties are hydrogen bond numbers and TPSA, and the Lipinski rule is the solubility/permeability drug-likeness. In silico prediction was done by using either the SwissADME cheminformatics platform or the WDI database. Bioavailability RADAR charts for six important physicochemical properties determined from the SwissADME cheminformatics platform (http://www.swissadme.ch/) and Lipinski’s rule (https://preadmet.webservice.bmdrc.org/druglikeness-2/), “Rule of Five” in comparison to compounds from the WDI database for solubility and permeability determination (accessed in November 2022)
  2. HBA hydrogen bond acceptors, HBD number of hydrogen bond donors, TPSA topological polar surface area, LIPO lipophilicity XLOGP3, SIZE size MW g/mol, POLAR polarity TPSA “Å2”, INSOUL solubility log S, INSATU saturation fraction of carbons, FLEX flexibility
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