Exploring the Targets of Novel Corona Virus and Docking-based Screening of Potential Natural Inhibitors to Combat COVID-19

Curr Top Med Chem. 2022;22(29):2410-2434. doi: 10.2174/1568026623666221020163831.

Abstract

There is a need to explore natural compounds against COVID-19 due to their multitargeted actions against various targets of nCoV. They act on multiple sites rather than single targets against several diseases. Thus, there is a possibility that natural resources can be repurposed to combat COVID-19. However, the biochemical mechanisms of these inhibitors were not known. To reveal the mode of anti-nCoV action, structure-based docking plays a major role. The present study is an attempt to explore various potential targets of SARS-CoV-2 and the structure-based screening of various potential natural inhibitors to combat the novel coronavirus.

Keywords: COVID-19; Docking- based screening.; Natural inhibitors; Non-structural proteins; SARS-CoV-2 potential targets; Structural proteins.

MeSH terms

  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology
  • COVID-19*
  • Humans
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Protease Inhibitors / pharmacology
  • SARS-CoV-2

Substances

  • Antiviral Agents
  • Protease Inhibitors