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Journal of Chemistry
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2015
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Article
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Tab 3
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Research Article
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