Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates

Since the emergence of the new severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) at the end of December 2019 in China, and with the urge of the coronavirus disease 2019 (COVID-19) pandemic, there have been huge efforts of many research teams and governmental institutions worldwide...

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Bibliographic Details
Published in:Bioscience reports 2021-03, Vol.41 (3)
Main Authors: Serafim, Mateus S M, Gertrudes, Jadson C, Costa, Débora M A, Oliveira, Patricia R, Maltarollo, Vinicius G, Honorio, Kathia M
Format: Article
Language:English
Subjects:
Antiviral Agents - chemistry
Antiviral Agents - pharmacology
Artificial Intelligence
CAD
Clinical trials
Computer aided design
Computer applications
Coronaviruses
COVID-19
COVID-19 - drug therapy
COVID-19 - metabolism
COVID-19 vaccines
Disease transmission
Drug Design
Drug development
Drug Discovery - methods
Drug Repositioning
Drug resistance
Enzymes
Epidemics
Genomes
Global health
Hepatitis C
Humans
Infections
Machine learning
Middle East respiratory syndrome
Molecular Bases of Health & Disease
Molecular Docking Simulation
Molecular Interactions
Mutation
Pandemics
Pharmacology & Toxicology
Proteins
Public health
Respiratory diseases
Review
RNA polymerase
SARS-CoV-2 - drug effects
SARS-CoV-2 - physiology
Severe acute respiratory syndrome coronavirus 2
Viral diseases
Viruses
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Summary:Since the emergence of the new severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) at the end of December 2019 in China, and with the urge of the coronavirus disease 2019 (COVID-19) pandemic, there have been huge efforts of many research teams and governmental institutions worldwide to mitigate the current scenario. Reaching more than 1,377,000 deaths in the world and still with a growing number of infections, SARS-CoV-2 remains a critical issue for global health and economic systems, with an urgency for available therapeutic options. In this scenario, as drug repurposing and discovery remains a challenge, computer-aided drug design (CADD) approaches, including machine learning (ML) techniques, can be useful tools to the design and discovery of novel potential antiviral inhibitors against SARS-CoV-2. In this work, we describe and review the current knowledge on this virus and the pandemic, the latest strategies and computational approaches applied to search for treatment options, as well as the challenges to overcome COVID-19.
ISSN:0144-8463
1573-4935
DOI:10.1042/BSR20202616