In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins.
COVID-19
DFT calculations
Medicinal plants
Molecular docking
Molecular dynamics
drug repurposing
Journal
Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176
Informations de publication
Date de publication:
2022
2022
Historique:
pubmed:
1
5
2021
medline:
15
12
2022
entrez:
30
4
2021
Statut:
ppublish
Résumé
The global prevalence of COVID-19 disease and the overwhelming increase in death toll urge scientists to discover new effective drugs. Although the drug discovery process is a challenging and time-consuming, fortunately, the plant kingdom was found to have many active therapeutics possessing broad-spectrum antiviral activity including those candidates active against severe acute respiratory syndrome coronaviruses (SARS-CoV). Herein, nine traditional Chinese medicinal plant constituents from different origins (Glycyrrhizin
Identifiants
pubmed: 33928870
doi: 10.1080/07391102.2021.1918256
doi:
Substances chimiques
salvianolic acid B
C1GQ844199
spike protein, SARS-CoV-2
0
Spike Glycoprotein, Coronavirus
0
Antiviral Agents
0
tanshinone
03UUH3J385
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM