International Journal of Phytomedicine and Phytotherapy
Table 1 Single and multiple ligand docking analysis
No. | Complex | H-bond amino acids | Free Energy Of Binding (kcal/mol) | Ki (μM) |
|---|---|---|---|---|
1. | HPA + amylose | Gln63, His201, Arg195, Asp197, His299, His305, Ile235 | −5.31 | 23.55 |
2. | HPA + acarbose | His101, Arg195, His201, Val234, Ile235, His299, His305, Ala307 | −5.38 | 113.73 |
3. | HPA + gedunin | Gln63, His101, His201 | −7.66 | 2.42 |
4. | HPA + amylose+acarbose | Gln63, Ala106, Thr163, Arg195, Lys200, His201, His299, His305 | −5.40 | 110.8 |
5. | HPA + amylose+gedunin | Gln63, His101, His201 | −8.12 | 1.12 |
6. | HSA + amylose | Gln63, Tyr151, Arg195, Lys200, His201 | −5.89 | 47.98 |
7. | HSA + acarbose | Trp59, Gln63, Gly104, Ala106, Ser163, His201, His299, His305 | −5.68 | 68.84 |
8. | HSA + gedunin | Gln63, His101, His201 | −6.36 | 21.91 |
9. | HSA + amylose+acarbose | Trp58, Trp59, Tyr151, Arg195, Lys200, His201, Leu237, Gly306, Lys352 | −5.90 | 47.19 |
10 | HSA + amylose+gedunin | Glu63, His101, Arg195 | −7.29 | 4.51 |