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. 2022 Jul 4;27(13):4301. doi: 10.3390/molecules27134301

Table 1.

Molecular docking results; binding energies of constituent compounds.

Compound Binding Energy
(kcal/mol)
4-terpineol −5.4
Anisaldehyde −4.6
Carvacrol −5.6
Coumarin −5.5
Dithymoquinone −7.9
Estragole −5.0
Estrol −7.6
Estrone −7.4
Eugenol −5.3
δ-Hederin −9.9
Hydroxytyrosol −5.4
Methylchavicol −6.0
Nigellone −5.4
Oleocanthal −6.2
Oleuropein −8.4
p-Cymene −5.3
Scopoletin −5.8
Sesquiterpene-Himachalene −6.7
Sesquiterpene-longifolene −6.6
t-Anethole −5.3
Thymohydroquinone −5.5
Thymol −5.3
Thymoquinone −5.3
t-Anethol −5.3
Tyrosol −5.1
Umbelliferone −5.8
Zinc Oxide −8.8