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T218 and K376 Control Phenamacril Sensitivity in Fusarium solani Myosin I and Enable Structure-Based Antifungal

Wei Yu1, Xiyuan Zhu1, Chaoqi He1

  • 1State Key Laboratory of Agricultural and Forestry Biosecurity, College of Plant Protection, Nanjing Agricultural University, Nanjing210095, China.

Journal of Agricultural and Food Chemistry
|August 19, 2026
PubMed

Insights

Phenamacril fungicide sensitivity varies across Fusarium species due to molecular differences in myosin I. This study reveals specific mutations in Fusarium solani myosin I (FsMyoI) impact fungicide binding, guiding new antifungal drug discovery.

Area of Science:

  • Mycology
  • Biochemistry
  • Structural Biology

Background:

  • Phenamacril (PHA) is a fungicide targeting myosin I in Fusarium species.
  • Differential sensitivity to PHA among Fusarium species suggests underlying molecular variations.
  • The precise molecular basis for this differential sensitivity is not well understood.

Purpose of the Study:

  • To investigate how site-specific variations in Fusarium solani myosin I (FsMyoI) influence PHA sensitivity.
  • To evaluate FsMyoI as a potential target for developing novel antifungal inhibitors.
  • To elucidate the structural mechanisms behind PHA's species-specific activity.

Main Methods:

  • Molecular dynamics simulations to model protein behavior.
  • Site-directed mutagenesis to introduce specific amino acid changes in FsMyoI.
  • Binding assays and ATPase activity measurements to assess inhibitor effects.
  • Virtual screening to identify potential new drug candidates.

Main Results:

  • Specific mutations (FsMyoIK376M and FsMyoIT218S) were identified in FsMyoI.
  • These mutations alter the dynamics of critical functional regions, affecting PHA binding.
  • Mutations impact the inhibition of FsMyoI's ATPase activity by PHA.
  • Virtual screening identified three compounds with confirmed antifungal activity and target engagement.

Conclusions:

  • Structural insights into PHA's species-specific sensitivity in Fusarium were provided.
  • FsMyoI is confirmed as a viable target for the development of new antifungal agents.
  • The identified mutations and compounds offer a basis for future antifungal drug discovery efforts.
Keywords:
F. solanicomputational chemistrydrug sensitivityphenamacriltargeted fungicide

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