Table 4 Docking results based on the LigScore1, LigScore2, PLP1, PLP2, Jain, PMF and Dock Score of the Compounds 1, 2 and 3 into the α-amylase enzyme (PDB: 1PPI)
S. no. | Compound | LigScore1 | LigScore2 | PLP1 | PLP2 | JAIN | PMF | Dock score | Internal energy (kcal/mol) |
|---|---|---|---|---|---|---|---|---|---|
1 | 4′,7-Dihydroxy-3′-methoxyflavone (Compound 1) | -999.9 | -999.9 | 58.52 | 49.39 | 0.97 | 23.52 | 31.63 | 1.452 |