Isolation and In Silico SARS-CoV-2 Main Protease Inhibition Potential of Jusan Coumarin, a New Dicoumarin from Artemisia glauca

Isolation and In Silico SARS-CoV-2 Main Protease Inhibition Potential of Jusan Coumarin, a New Dicoumarin from Artemisia glauca

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A new dicoumarin, jusan coumarin, (1), has been isolated from Artemisia glauca aerial parts. The chemical structure of jusan coumarin was estimated, by 1D, 2D NMR as well as HR-Ms spectroscopic methods, to be 7-hydroxy-6-methoxy-3-[(2-oxo-2H-chromen-6-yl)oxy]-2H-chromen-2-one. As the first time to b...

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Bibliographic Details
Main Authors: Alsfouk, A.A (Author), Dehaen, W. (Author), Eissa, I.H (Author), Elkaeed, E.B (Author), Ishmuratova, M.Y (Author), Jose, R.A (Author), Metwaly, A.M (Author), Suleimen, R.N (Author), Suleimen, Y.M (Author), Toppet, S. (Author)
Format: Article
Language:English
Published: MDPI 2022
Subjects:
3C-like proteinase, SARS-CoV-2
ADMET
Artemisia
Artemisia glauca
chemistry
Coronavirus 3C Proteases
coumarin
coumarin derivative
Coumarins
COVID-19
COVID-19 main protease
DFT
dicoumarol
Dicumarol
drug therapy
jusan coumarin
ligand
Ligands
molecular docking
Molecular Docking Simulation
molecular dynamics
Molecular Dynamics Simulation
molecular similarity
new dicoumarin
Protease Inhibitors
proteinase inhibitor
SARS-CoV-2
structure fingerprint
toxicity
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