Table 1.

Names and docking scores (kcal/mol) of the 10 top-scoring compounds of Artemisia annua against SARS-CoV-2 main protease.

Compound	Synonym	Structural class	Docking score (kcal/mol)
Rhamnocitrin	7-Methylkaempferol	Flavonoid	−7.83
Isokaempferide	3-Methylkaempferol	Flavonoid	−7.81
Kaempferol	3,4′,5,7-Tetrahydroxyflavone	Flavonoid	−7.65
Quercimeritrin	Quercetin 7-glucoside	Flavonoid	−7.55
Apigenin	4′,5,7-Trihydroxyflavone	Flavonoid	−7.49
Penduletin	5,4′-Dihydroxy-3,6,7-trimethoxyflavone	Flavonoid	−7.38
Isoquercitrin	Quercetin 3-glucoside	Flavonoid	−7.33
Astragalin	kaempferol-3-glucoside	Flavonoid	−7.23
Luteolin-7-glucoside	Flavopurposide	Flavonoid	−7.16
Isorhamnetin	3-Methylquercetin	Flavonoid	−7.15
K36	SCHEMBL21114829	Standard ligand*	−6.59

^*K36 - (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid.