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. 2018 Dec 26;27(3):389–400. doi: 10.1016/j.jsps.2018.12.008

Table 2.

Molecular docking parameters of the interacting plant-derived compounds with HBV Pol.

Compounds Chemical class ΔG^ (kcal/mol) Kd^^ (/mol)
Lamivudine* Nucleoside analog −5.2 6.5 × 103
Quercetin Flavanoid −7.4 2.7 × 105
Rutin Flavanoid −9.2 5.6 × 106
Hesperidin Flavanoid −9.3 6.6 × 106
Lupeol Triterpenoid −8.1 8.7 × 105
Azadirachtin Terpenoid −8.1 8.7 × 105
β-Sitosterol Phytosterol −8.3 1.2 × 106
Psoralen Furocaumarin −6.4 4.9 × 104
Embelin Benzoquinone −6.0 2.5 × 104
Menisdaurin Cyanoglycoside −6.5 8.9 × 104
Baccatin III Taxol −7.0 1.4 × 105
*

Standard/positive control.

^

Binding free energy.

^^

Binding affinity.