Table 2.
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.