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Crucial Structural Understanding for Selective HDAC8 Inhibition: Common Pharmacophores, Molecular Docking, Molecular Dynamics, and Zinc Binder Analysis of selective HDAC8 inhibitors.

Kakali SarkarSudhan DebnathDebanjan SenSupratik KarSamir Kumar Sil
Published in: Medicinal chemistry (Shariqah (United Arab Emirates)) (2024)
These findings may expedite the rapid discovery of selective HDAC8 inhibitors subject to experimental evaluation.
Keyphrases
  • molecular dynamics
  • molecular docking
  • histone deacetylase
  • molecular dynamics simulations
  • density functional theory
  • small molecule
  • high throughput
  • clinical evaluation