A review on drug repurposing applicable to COVID-19

Brief Bioinform. 2021 Mar 22;22(2):726-741. doi: 10.1093/bib/bbaa288.

Abstract

Drug repurposing involves the identification of new applications for existing drugs at a lower cost and in a shorter time. There are different computational drug-repurposing strategies and some of these approaches have been applied to the coronavirus disease 2019 (COVID-19) pandemic. Computational drug-repositioning approaches applied to COVID-19 can be broadly categorized into (i) network-based models, (ii) structure-based approaches and (iii) artificial intelligence (AI) approaches. Network-based approaches are divided into two categories: network-based clustering approaches and network-based propagation approaches. Both of them allowed to annotate some important patterns, to identify proteins that are functionally associated with COVID-19 and to discover novel drug-disease or drug-target relationships useful for new therapies. Structure-based approaches allowed to identify small chemical compounds able to bind macromolecular targets to evaluate how a chemical compound can interact with the biological counterpart, trying to find new applications for existing drugs. AI-based networks appear, at the moment, less relevant since they need more data for their application.

Keywords: AI; COVID-19; drug repurposing; molecular docking; network-based approaches; new therapies.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Antiviral Agents / therapeutic use*
  • COVID-19 / virology
  • COVID-19 Drug Treatment*
  • Drug Repositioning*
  • Humans
  • Molecular Docking Simulation
  • SARS-CoV-2 / isolation & purification*

Substances

  • Antiviral Agents