Table 3 The docking results and amino acids contributing to interactions for substances forxiga, acarbose, 4, 6, 8, and 10.
From: Dual α-amylase and α-glucosidase inhibition by 1,2,4-triazole derivatives for diabetes treatment
Compounds | Docking score (Kcal/mol) | Amino acid H-bond (Bond length Ǻ) |
|---|---|---|
Forxiga (Dapagliflozin) | − 6.780 | ASP 300 (A) H-donor 2.86 ASP 197 (A) H-donor 2.81 HIS 299 (A) H-acceptor 2.93 |
Acarbose | − 8.766 | GLU 233 (A) H-donor 2.84 GLU 233 (A) H-donor 2.80 ASP 197 (A) H-donor 2.95 TRP 59 (A) H-pi 4.70 |
4 | − 7.758 | ALA 106 (A) H-acceptor 3.13 |
6 | − 7.396 | GLN 63 (A) pi-H 4.49 |
8 | − 7.924 | – |
10 | − 7.682 | GLN 63 (A) H-acceptor 2.92 GLN 63 (A) pi-H 4.42 LEU 162(A) pi-H 3.88 |
