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  • ContentsContents
  • Article InfoArticle Info
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  • Article title
  • Abstract
  • Keywords
  • Introduction
  • Materials and methods
    • Preparation of ATP-dependent 6-phosphofructokinase receptor structure
    • Validation of ATP-dependent 6-phosphofructokinase receptor structure
    • Acquisition of dataset
    • Molecular docking assessment
      • Ligand molecule preparation
      • Receptor macromolecule preparation
      • Binding site determination
      • Visualization of molecular interactions through docking
    • ADMET analysis
    • Estimation of predicted IC50
    • Simulating molecular dynamics (MD)
    • In vitro testing for anthelmintic effect
      • Plant sample collection and preparation
    • Evaluation of mortality and paralysis
      • Assessment of ovicidal effects
      • Statement of ethical approval
  • Results
    • ATP-dependent 6-phosphofructokinase receptor sequence
    • Receptor constructed by homology modeling
    • Molecular docking analysis
    • ADMET analysis
    • Computational inhibition constant
    • Molecular dynamics simulations study
    • In vitro testing for anthelmintic effect
      • Evaluation of mortality and paralysis
      • Assessment of ovicidal effects
  • Discussion
  • Conclusions
  • Author contributions
  • Funding
  • Conflicts of interest
  • Acknowledgments
  • References
  • Supplementary materials
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