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. 2014 Nov 20;8(11):ZC48–ZC51. doi: 10.7860/JCDR/2014/10067.5133

[Table/Fig-6]:

Protein-compound interaction profiles of ligands

s.no Ligand Total binding energy Vanderwaals force Hbond Electrostatic bond
1 (2R,3R)-1-carboxy-3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2 H-chromenium -116.429 -76.8284 39.3642 -0.236165
2 carboxy[(2R,3R)-3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxonium -114.941 -82.0331 -31.668 -1.23969
3 carboxy{2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl}oxonium -102.961 -72.5893 28.4192 -1.95222
4 carboxy{2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl}oxonium -112.128 -60.7134 47.9748 -3.43962
5 (Z)-sulfo[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-ylidene]oxonium -121.908 -81.9742 -36.262 -3.67148