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This study screened existing drugs for COVID-19 treatment. Arbidol, Chloroquine, and Remdesivir show potential by inhibiting viral entry and release.

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87.14.E-87.15.A-87.15.B-87.15.ap

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Area of Science:

  • Virology
  • Drug Discovery
  • Computational Chemistry

Background:

  • The rapid global spread of Coronavirus Disease 2019 (COVID-19) necessitates the urgent development of effective antiviral agents.
  • Identifying existing drugs with potential therapeutic benefits can accelerate treatment strategies.

Purpose of the Study:

  • To conduct a structure-based virtual screening of commercially available drugs against key proteins of the novel coronavirus.
  • To identify potential drug candidates for the prevention and treatment of COVID-19.

Main Methods:

  • Structure-based virtual screening was employed.
  • Evaluated drug interactions with human angiotensin converting enzyme II (ACE2) and viral proteins (main protease, spike, envelope, membrane, nucleocapsid).

Main Results:

  • Arbidol, Chloroquine, and Remdesivir demonstrated potential to inhibit viral entry and release by binding to ACE2, spike, and envelope proteins.
  • NHC (β-d-N4-hydroxycytidine) and Triazavirin showed promise due to similar binding patterns.
  • Screening against the main protease (3CLpro) identified Mitoguazone, Metformin, Biguanide Hydrochloride, Gallic acid, Caffeic acid, Sulfaguanidine, and Acetylcysteine as potential inhibitors.

Conclusions:

  • Several existing drugs and compounds show potential for COVID-19 treatment by targeting viral entry/release or the main protease.
  • Further clinical investigation of these identified agents is warranted for COVID-19 therapy.