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Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug

Valeria V Kleandrova1, Marcus T Scotti2, Alejandro Speck-Planche2

  • 1Laboratory of Fundamental and Applied Research of Quality and Technology of Food Production, Moscow State University of Food Production, Volokolamskoe Shosse 11, 125080, Moscow, Russian Federation.

Current Topics in Medicinal Chemistry
|October 12, 2021
PubMed

Insights

Computational drug discovery can identify novel antiviral therapies. This approach screens for compounds that boost immune responses via TLR7/STING and inhibit inflammation by targeting caspase-1 and TNF-α for respiratory viruses.

Area of Science:

  • * Virology and Immunology
  • * Computational Drug Discovery

Background:

  • * Respiratory viruses like SARS-CoV-2 and influenza A pose significant global health threats.
  • * These viruses evade immune defenses and trigger harmful hyperinflammatory responses.
  • * Developing broad-spectrum antiviral agents is crucial for managing respiratory viral infections.

Purpose of the Study:

  • * To explore computational multi-target drug discovery for identifying indirect-acting pan-antiviral (IAPA) agents.
  • * To investigate the potential of activating immune pathways (TLR7/STING) and inhibiting inflammatory targets (caspase-1, TNF-α).
  • * To highlight the role of computational methods in accelerating the discovery of novel antiviral treatments.

Main Methods:

  • * Utilizing computational approaches for virtual screening and drug repurposing.
  • * Focusing on multi-target drug discovery strategies.
  • * Identifying compounds that modulate specific immune and inflammatory pathways.

Main Results:

  • * Computational methods can accelerate the identification of multi-target immunomodulators.
  • * Virtual screening can identify IAPA agents with potential therapeutic benefits.
  • * The strategy involves simultaneous targeting of immune-boosting and inflammation-inhibiting proteins.

Conclusions:

  • * Computational multi-target drug discovery is a promising strategy for developing IAPA agents.
  • * Targeting TLR7/STING activation and caspase-1/TNF-α inhibition offers a viable antiviral approach.
  • * This approach can lead to effective treatments for diseases caused by respiratory viruses.
Keywords:
AntiviralCaspase-1CoronavirusesIndirect-acting pan-antiviralInfluenzaMulti-targetPTMLSTINGTLR7TNF-α.

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