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  • Article InfoArticle Info
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  • Article title
  • Abstract
  • Keywords
  • Introduction
  • Materials and methods
    • Ligands preparation
    • Target selection and preparation
    • ADME properties analysis
    • Evaluation of molecular docking. Docking protocol
    • Molecular dynamics (MD) simulation of top docked complexes
    • MMPBSA analysis
  • Results
    • Docking study
    • Determination of ADME for lead compounds
    • Docking analysis of top hits
    • Molecular dynamics (MD) simulation study
    • Free binding energy estimation
  • Conclusions
  • Acknowledgements
  • References
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