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Targeting Fructosamine Oxidase (Amadoriase II) in Aspergillus fumigatus: Comprehensive Virtual Screening, ADMET Analysis, and Molecular Dynamics Simulation of Triazole Derivatives.

Imane YamariOussama AbchirMeriem KhedraouiAbdelkbir ErrouguiMohammed TalbiAbdelouahid SamadiMHammed El KoualiSamir Chtita
Published in: Current medicinal chemistry (2024)
This approach contributes to the development of targeted antifungal agents, offering a rational starting point for experimental validation and drug development against Aspergillus fumigatus infections.
Keyphrases
  • molecular dynamics simulations
  • molecular docking
  • cancer therapy
  • candida albicans
  • drug delivery
  • clinical evaluation