Table 3.
Binding interactions of the hit compounds and reference drug with AKT 1
S/N | Compound name | Interacting residues | Conventional H-bond |
---|---|---|---|
1 | Cynaroside | Gly159, Phe161, Gly162, Lys179, Leu181, Glu191, Glu234, and Gly294 | Gly159, Gly162, Glu191, and Glu234 |
2 | Epicatechin gallate | Leu156, Lys158, Val164, Ala177, Glu228, Ala230, Glu234, Met281, and Thr291 | Lys158, Glu228, and Thr291 |
3 | Capivasertib (reference drug) | Leu156, Phe161, Val164, Ala177, Lys179, Leu181, His194, Glu198, Met281, and Asp292 | Asp292 |