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Study on molecular anti-tumor mechanism of 2-thiohydantoin derivative based on molecular docking and bioinformatic analyses.

Ali A A Al-ShawiAmr Ahmed El ArabeyDakhil Zughayir MutlaqWafa Ali EltaybMarcello IritiMohnad Abdalla
Published in: Current topics in medicinal chemistry (2023)
The relevance of this 2-thiohydantoin derivative was demonstrated by our experimental tests, docking studies, and bioinformatics analysis, and it may be investigated as a lead molecule for anticancer medicines, notably as AKT1 and CKD2 inhibitors.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • bioinformatics analysis
  • chronic kidney disease
  • signaling pathway
  • cell proliferation
  • molecular dynamics
  • case control