Table 3.

Predicted binding energies (Kcal/mol) of all 15 phytochemicals and 3 compounds in PyRx 0.8 and Webina 1.0.2

Compounds	Binding Energy ΔGb (kcal/mol)
	Docking with PyRx 0.8	Docking with Webina 1.0.2
Hyperoside	−8.6	−8.6
Nimbaflavone	−8	−8
Eugenol	−4.9	−4.9
Ursolic acid	−8.7	−8.7
6-gingerol	−5.8	−5.6
6-shogaol	−5.8	−5.8
6-paradol	−5.7	−5.3
Curcumin	−7.1	−6.9
Catechins	−7.1	−7.1
Epigallocatechin	−7.3	−7.3
α-Hederin	−8.5	−8.6
Echinocystic acid diacetate	−6.7	−6.9
6-gingerol	−4.1	−4.2
6-shogaol	−3.6	−3.5
6-paradol	−6.8	−7
Ajoene	−4.9	−4.9
Allicin	−4.1	−4.1
Piperine	−3.6	−3.7
quercetin	−7.4	−7.4
Remdesivir	−7.7	−7.6
PF-00835231	−8.4	−8.4