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August 27, 2026Biotechnology and Applied Biochemistry

Ionic Liquid Toxicity in Biotechnological Yeasts: Experimental Assessment and Molecular Docking Insights

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Authors

FBFilipe S. BuarqueASAriane G. SantosBRBernardo D. Ribeiro

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Overview

In vitro and computational study reveals species-dependent ionic liquid toxicity linked to hexokinase binding in yeasts, indicating enzyme-level mechanisms of chemical tolerance.

Key Points

  • To evaluate the toxicity profiles of ionic liquid-derived ions across three biotechnologically relevant yeast species and model their interactions with yeast hexokinases.
  • Assessed toxicity by measuring maximum non-toxic concentration (MNTC) values of selected ionic liquid cations and anions in Saccharomyces cerevisiae, Yarrowia lipolytica, and Kluyveromyces marxianus.
  • Conducted molecular docking simulations to analyze binding affinities between the evaluated ions and the hexokinase enzymes of each yeast species.
  • Yarrowia lipolytica exhibited substantially higher tolerance to ionic liquids compared to Kluyveromyces marxianus and Saccharomyces cerevisiae.
  • Anion toxicity increased consistently from Cl− to [NTf2]− across all three species, with [NTf2]− consistently exhibiting the lowest MNTC values.
  • Molecular docking revealed that higher binding affinity to hexokinase qualitatively correlated with lower MNTC values, indicating enzyme inhibition contributes to ion toxicity.

Cite This Study

Buarque et al. (2026) studied this question.

synapsesocial.com/papers/6a8fea1c10c91c1e9262233ehttps://doi.org/10.1002/bab.70204
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