In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2.
Antiviral Agents
/ pharmacology
Computer Simulation
Humans
Iran
Molecular Docking Simulation
Molecular Dynamics Simulation
Peptide Hydrolases
/ chemistry
Phytochemicals
/ metabolism
Plants, Medicinal
/ metabolism
Protease Inhibitors
/ chemistry
Protein Binding
Receptors, Virus
/ chemistry
SARS-CoV-2
/ drug effects
Thermodynamics
Viral Protease Inhibitors
/ chemistry
COVID-19 Drug Treatment
chelidimerine
coronavirus
inhibitor
main protease
medicinal plant
molecular docking
molecular dynamics simulation
receptor-binding domain
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
21 Sep 2021
21 Sep 2021
Historique:
received:
27
06
2021
revised:
22
08
2021
accepted:
01
09
2021
entrez:
28
9
2021
pubmed:
29
9
2021
medline:
2
10
2021
Statut:
epublish
Résumé
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in December 2019. Elderly individuals and those with comorbid conditions may be more vulnerable to this disease. Consequently, several research laboratories continue to focus on developing drugs to treat this infection because this disease has developed into a global pandemic with an extremely limited number of specific treatments available. Natural herbal remedies have long been used to treat illnesses in a variety of cultures. Modern medicine has achieved success due to the effectiveness of traditional medicines, which are derived from medicinal plants. The objective of this study was to determine whether components of natural origin from Iranian medicinal plants have an antiviral effect that can prevent humans from this coronavirus infection using the most reliable molecular docking method; in our case, we focused on the main protease (M
Identifiants
pubmed: 34577194
pii: molecules26185724
doi: 10.3390/molecules26185724
pmc: PMC8470205
pii:
doi:
Substances chimiques
Antiviral Agents
0
Phytochemicals
0
Protease Inhibitors
0
Receptors, Virus
0
Viral Protease Inhibitors
0
Peptide Hydrolases
EC 3.4.-
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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