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In Vitro and Computational Response of Differential Catalysis by Phlebia brevispora BAFC 633 Laccase in Interaction with 2,4-D and Chlorpyrifos

Summary

Scientists studied how two common pesticides (2,4-D and chlorpyrifos) interact with an enzyme called laccase produced by a white rot fungus. Using laboratory tests and computer simulations, they found that the fungus can survive exposure to these pesticides while still producing active laccase. Importantly, chlorpyrifos actually increased the enzyme’s activity, suggesting it could be useful for breaking down pesticide-contaminated soil and water.

Background

White rot fungi secrete laccase enzymes with potential for treating xenobiotic compounds including pesticides. Phlebia brevispora BAFC 633 is a white rot fungus capable of secreting high levels of laccase. The impact of pesticides 2,4-D and chlorpyrifos on laccase catalytic function remains understudied.

Objective

To comprehensively analyze the impact of pesticides 2,4-dichlorophenoxyacetic acid (2,4-D) and chlorpyrifos on the laccase of Phlebia brevispora BAFC 633 through in vitro and computational analyses. Understanding how these agrochemicals affect laccase function is crucial for developing biotechnological remediation strategies.

Results

The fungal strain tolerated both pesticides with morphological and ultrastructural alterations. Two laccase isoenzymes (53 and 70 kDa) were detected. Laccase showed high stability at pH 3.6 and 50-60°C. Molecular docking revealed binding energies of −5.06 and −9.41 Kcal mol⁻¹ for 2,4-D and chlorpyrifos respectively, with chlorpyrifos showing stronger hydrophobic interactions.

Conclusion

Both pesticides significantly affected laccase activity, with chlorpyrifos acting as a stronger inducer or stabilizer. His460 residue was critical for stabilizing both complexes. The findings provide fundamental understanding for developing enzyme-based bioremediation strategies for pesticide-contaminated environments.
  • Published in:International Journal of Molecular Sciences,
  • Study Type:In Vitro and Computational Study,
  • Source: PMC11641778, PMID: 39684240, DOI: 10.3390/ijms252312527
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