Understanding the biodegradation pathways of azo dyes by immobilized white-rot fungus, Trametes hirsuta D7, using UPLC-PDA-FTICR MS supported by in silico simulations and toxicity assessment

Chemosphere. 2023 Feb:313:137505. doi: 10.1016/j.chemosphere.2022.137505. Epub 2022 Dec 9.

Abstract

No biodegradation methods are absolute in the treatment of all textile dyes, which leads to structure-dependent degradation. In this study, biodegradation of three azo dyes, reactive black 5 (RB5), acid blue 113 (AB113), and acid orange 7 (AO7), was investigated using an immobilized fungus, Trametes hirsuta D7. The degraded metabolites were identified using UPLC-PDA-FTICR MS and the biodegradation pathway followed was proposed. RB5 (92%) and AB113 (97%) were effectively degraded, whereas only 30% of AO7 was degraded. Molecular docking simulations were performed to determine the reason behind the poor degradation of AO7. Weak binding affinity, deficiency in H-bonding interactions, and the absence of interactions between the azo (-NN-) group and active residues of the model laccase enzyme were responsible for the low degradation efficiency of AO7. Furthermore, cytotoxicity and genotoxicity assays confirmed that the fungus-treated dye produced non-toxic metabolites. The observations of this study will be useful for understanding and further improving enzymatic dye biodegradation.

Keywords: Biodegradation; Molecular docking; T. hirsuta D7; Toxicity assessment; UPLC-PDA-FTICR MS.

MeSH terms

  • Azo Compounds* / metabolism
  • Azo Compounds* / toxicity
  • Biodegradation, Environmental
  • Coloring Agents / chemistry
  • Laccase / chemistry
  • Molecular Docking Simulation
  • Trametes*

Substances

  • Azo Compounds
  • Coloring Agents
  • Laccase

Supplementary concepts

  • Trametes hirsuta