Coronavirus disease 2019 drug discovery through molecular docking [version 1; peer review: 1 approved, 2 approved with reservations]

Background: The dawn of the year 2020 witnessed the spread of the highly infectious and communicable disease coronavirus disease 2019 (COVID-19) globally since it was first reported in 2019. Severe acute respiratory syndrome coronavirus-2 is the main causative agent. In total, 3,096,626 cases and 217...

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Bibliographic Details
Published inF1000 research Vol. 9; p. 502
Main Authors Singh, Sweta, Florez, Hector
Format Journal Article
LanguageEnglish
Published England Faculty of 1000 Ltd 2020
F1000 Research Limited
F1000 Research Ltd
Subjects
Acetic acid
Antiparasitic agents
Antiviral agents
Antiviral Agents - chemistry
Atovaquone
Baicalin
Betacoronavirus - drug effects
Coronaviridae
Coronavirus Infections
Coronaviruses
COVID-19
Crystal structure
Disease transmission
Drug Discovery
Drug screening
Drugs
Energy
Fexofenadine
Genomes
Humans
Hydrogen bonds
Ligands
Molecular Docking Simulation
Natural products
Pandemics
Pneumonia, Viral
Proteins
SARS-CoV-2
Severe acute respiratory syndrome coronavirus 2
Software
Viruses
COVID-19
SARS-CoV-2
Molecular Docking
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Summary:Background: The dawn of the year 2020 witnessed the spread of the highly infectious and communicable disease coronavirus disease 2019 (COVID-19) globally since it was first reported in 2019. Severe acute respiratory syndrome coronavirus-2 is the main causative agent. In total, 3,096,626 cases and 217,896 deaths owing to COVID-19 were reported by 30th April, 2020 by the World Health Organization. This means infection and deaths show an exponential growth globally. In order to tackle this pandemic, it is necessary to find possible easily accessible therapeutic agents till an effective vaccine is developed. Methods: In this study, we present the results of molecular docking processes through high throughput virtual screening to analyze drugs recommended for the treatment of COVID-19. Results: Atovaquone, fexofenadine acetate (Allegra), ethamidindole, baicalin, glycyrrhetic acid, justicidin D, euphol, and curine are few of the lead molecules found after docking 129 known antivirals, antimalarial, antiparasitic drugs and 992 natural products. Conclusions: These molecules could act as an effective inhibitory drug against COVID-19.
Bibliography:ObjectType-Article-1
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No competing interests were disclosed.
ISSN:2046-1402
2046-1402
DOI:10.12688/f1000research.24218.1