Identification of potential SARS-CoV-2 inhibitors from South African medicinal plant extracts using molecular modelling approaches.
COVID-19
Molecular dynamics simulations
SARS-CoV-2 3C-like main protease
SARS-CoV-2 RNA-dependent polymerase
SARS-CoV-2 receptor binding domain
Journal
South African journal of botany : official journal of the South African Association of Botanists = Suid-Afrikaanse tydskrif vir plantkunde : amptelike tydskrif van die Suid-Afrikaanse Genootskap van Plantkundiges
ISSN: 0254-6299
Titre abrégé: S Afr J Bot
Pays: South Africa
ID NLM: 100955699
Informations de publication
Date de publication:
Sep 2020
Sep 2020
Historique:
received:
23
05
2020
revised:
15
07
2020
accepted:
27
07
2020
pubmed:
26
8
2020
medline:
26
8
2020
entrez:
26
8
2020
Statut:
ppublish
Résumé
The coronavirus is a group of viruses found in animals as well as humans and have been detected since the 1960s. However, a newly identified form, SARS-CoV-2, has triggered a recent pandemic of respiratory disease now called COVID-19. There is currently no specific antiviral drug for the treatment of this pandemic, with most treatment strategies focused on symptomatic management and supportive therapy. As such, several drug discovery efforts are ongoing for potent treatment agents, with medicinal plants gradually gaining prominence. Approximately 80% of the South African population use traditional medicines to meet their primary health care needs. The current study aimed to identify potential COVID-19 therapeutic agents from a list of 29 bioactive compounds isolated from commonly used South African medicinal plants using molecular docking and molecular dynamics. Molecular docking identified arabic acid from
Identifiants
pubmed: 32839635
doi: 10.1016/j.sajb.2020.07.035
pii: S0254-6299(20)31015-2
pmc: PMC7437493
doi:
Types de publication
Journal Article
Langues
eng
Pagination
273-284Informations de copyright
© 2020 SAAB. Published by Elsevier B.V. All rights reserved.
Déclaration de conflit d'intérêts
All authors declare that there are no conflicting interests.
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