Enliven: Bio analytical Techniques | Open Access Journals | Open Access Articles
Compounds S kcal/ mol Amino acid interactions H-bond length Å H-bonding scores %

Incensole

-12.7234

Tyr 48, His 110

1.91, 2.77, 1.51, 2.47

42, 16, 69, 11

Co-lig

-16.1342

Tyr 48, His 110, Trp 111, Ser 302, Leu 301

1.28, 1.64, 1.56, 1.30, 1.66, 1.40

23, 49, 42, 31, 49, 75


Table 1. Binding scores and amino acid interactions of incensole and co-ligand on the active site of human aldose reductase