Table 4 Binding energies (kcal/mol) of the compounds along with their Root Mean Square Distance value obtained from Autodock Vina tool
Compound | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 |
|---|---|---|---|---|---|---|---|---|---|
6′-Methyl-Thiamin Diphosphate | -6.6 | -6.4 | -6.0 | -5.4 | -5.4 | -5.4 | -5.1 | -5.1 | -5.0 |
dist from best mode rmsd l.b. | 0.000 | 3.252 | 2.378 | 3.123 | 4.875 | 2.724 | 5.149 | 25.545 | 26.623 |
dist from best mode rmsd u.b. | 0.000 | 4.402 | 5.402 | 6.050 | 5.978 | 4.884 | 7.100 | 28.035 | 28.663 |