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Ligand nanovectorization using graphene to target cellular death receptors of cancer cell

Nicolas Arroyo1, Guillaume Herlem1, Fabien Picaud1

  • 1Laboratoire de Nanomédecine, Imagerie et Thérapeutique, EA4662, Université Bourgogne-Franche-Comté (UFR Sciences et Techniques, UFR Sciences Médicales et Pharmaceutiques), Centre Hospitalier Universitaire de Besançon, Besançon, France.

Proteins
|July 12, 2019
PubMed

Insights

Tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) shows promise for cancer nanomedicine. Molecular simulations reveal graphene nanoflakes can enhance TRAIL

Area of Science:

  • Biochemistry and Molecular Biology
  • Nanomedicine
  • Computational Biology

Background:

  • Tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) is a cytokine with potential for targeted cancer therapy.
  • Challenges include cancer cell resistance and rapid dispersion of TRAIL in the body, limiting its efficacy.
  • Understanding TRAIL's molecular interactions with death receptors (DRs) is crucial for improving its therapeutic action.

Purpose of the Study:

  • To investigate the molecular interactions between TRAIL and its agonistic death receptors (DR4 and DR5).
  • To examine the potential of graphene nanoflakes as a carrier for TRAIL in cancer nanomedicine.
  • To evaluate TRAIL's self-assembly and adsorption onto graphene for enhanced cancer cell targeting.

Main Methods:

  • Molecular simulations were employed to model TRAIL-DR interactions.
  • The binding affinity of TRAIL to DR4 and DR5 was analyzed.
  • The behavior of TRAIL adsorbed on graphene nanoflakes was simulated.

Main Results:

  • TRAIL demonstrates binding to both agonistic DR4 and DR5, with a preference for DR4.
  • Graphene nanoflakes show potential as a cargo for TRAIL delivery.
  • Modelization confirms TRAIL can bind to DR4 and DR5 when transported by graphene nanoflakes.

Conclusions:

  • Molecular simulations provide insights into TRAIL-DR interactions.
  • Graphene nanoflakes represent a viable strategy to enhance TRAIL's efficacy in cancer nanomedicine.
  • This study serves as a proof of concept for graphene-based TRAIL delivery systems.
Keywords:
anticancer ligandgraphenenanovectorizationsimulation

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