Binding Mode Investigation of Polyphenols from Scrophularia Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations

Table 4

The results of statistical aldose reductase inhibition activity predictions of the polyphenols using PASS.

Compounds			Activity
Acacetin	0.341	0.003	Aldose reductase inhibitor
Ferulic acid	0.138	0.015	Aldose reductase inhibitor
Protocateuic acid	0.121	0.004	Aldose reductase inhibitor
Gallic acid	0.106	0.005	Aldose reductase inhibitor
Cinnamic acid	0.071	0.013	Aldose reductase inhibitor
Vanillic acid	0.102	0.005	Aldose reductase inhibitor
Syringic acid	0.088	0.009	Aldose reductase inhibitor