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Sulfoglycodendron Antivirals with Scalable Architectures and Activities.

Francesco Coppola1, Roya Jafari1, Katherine D McReynolds2

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New sulfoglycodendron HSPG-mimetics show promise as broad-spectrum antivirals. These compounds effectively block viral entry by targeting heparan sulfate proteoglycans (HSPG) and viral protein receptors, acting as a molecular glue.

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Area of Science:

  • Virology
  • Biochemistry
  • Computational Biology

Background:

  • Viruses utilize host cell surface molecules, including human heparan sulfate proteoglycans (HSPG), for cellular entry.
  • Blocking these interactions is a key strategy for developing broad-spectrum antiviral therapies.

Purpose of the Study:

  • To design and evaluate large sulfoglycodendron HSPG-mimetics as potential broad-spectrum antivirals.
  • To investigate the binding mechanisms of these mimetics to viral protein receptors.

Main Methods:

  • Atomistic molecular dynamics simulations were employed to analyze the binding interactions.
  • Vectorial distributions of binding energies and space-dependent residual analysis were utilized.

Main Results:

  • The designed HSPG-mimetics demonstrated effective blocking of multi-protein HSPG-receptors in viruses like HIV, SARS-CoV-2, HPV, and dengue.
  • Analysis revealed that large, multivalent mimetics can act as a molecular glue, initiating protein receptor self-assembly.

Conclusions:

  • Sulfoglycodendron HSPG-mimetics represent a promising class of broad-spectrum antiviral agents.
  • Their multivalent binding capability offers a novel mechanism for inhibiting viral cell entry.