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

Table 3

Physiochemical descriptors of the polyphenolic compounds.

Compounds		Molecular weight (Da)	H-acceptor	H-donor	Number of rotational bonds
Acacetin	2.999	284.267	5	2	2
Ferulic acid	1.249	194.186	4	2	3
Protocatechuic acid	0.880	154.121	4	4	1
Gallic acid	0.589	170.120	5	4	1
Cinnamic acid	1.910	148.161	2	1	2
Vanillic acid	1.187	168.148	4	2	2
Syringic acid	1.204	198.174	5	2	3