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The Inhibition Mechanism of Pancreatic Ductal Adenocarcinoma via LXR Receptors: A Multifaceted Approach Integrating Molecular Docking, Molecular Dynamics and Post-MD Inter-Molecular Contact Analysis.

Soykan AgarBarbaros AkkurtEngin Ulukaya
Published in: Asian Pacific journal of cancer prevention : APJCP (2023)
Further in vitro and in vivo investigations will be beneficial and would shed light onto the mechanism to decipher the suppression of PDAC evaluating the potential of Baicalein, Beta-Sitosterol, Polydatin natural ligand compounds.
Keyphrases
  • molecular dynamics
  • molecular docking
  • density functional theory
  • molecular dynamics simulations
  • single molecule
  • climate change
  • data analysis