Molecular Modelling of the Emergence of Azole Resistance in Mycosphaerella graminicola
2011

Modeling Azole Resistance in Wheat Pathogen Mycosphaerella graminicola

publication 10 minutes Evidence: high

Author Information

Author(s): Jonathan G. L. Mullins, Josie E. Parker, Hans J. Cools, Roberto C. Togawa, John A. Lucas, Bart A. Fraaije, Diane E. Kelly, Steven L. Kelly

Primary Institution: Swansea University

Hypothesis

The study aims to model the structural changes in the CYP51 enzyme of Mycosphaerella graminicola that are associated with azole resistance.

Conclusion

The study provides a robust model for predicting azole resistance in Mycosphaerella graminicola based on structural changes in the CYP51 enzyme.

Supporting Evidence

  • The study identified specific mutations in the CYP51 enzyme that correlate with increased resistance to azole fungicides.
  • Structural models were validated against known resistance profiles in field populations.
  • The research highlights the importance of the 459-461 region in the CYP51 enzyme for azole binding and resistance.

Takeaway

Scientists created a computer model to understand how a fungus that affects wheat becomes resistant to certain medicines, helping to predict future resistance.

Methodology

The study used homology modeling to create structural models of the wild type and mutant CYP51 proteins, followed by docking simulations of azole fungicides.

Limitations

The study primarily focuses on structural modeling and may not account for all biological factors influencing resistance.

Digital Object Identifier (DOI)

10.1371/journal.pone.0020973

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