Table 3 The binding energy helped in the identification of the better ligand
From: Bioinformatics in crosslinking chemistry of collagen with selective cross linkers
| Â | Coenzyme Q 10 | Dopaquinone | Embelin | Embelin complex-1 | Embelin complex-2 | Idebenone | 5-O-Methyl embelin | Potassium embelate without K | Vilangin |
|---|---|---|---|---|---|---|---|---|---|
Docking results | |||||||||
Type I collagen-Lowest binding energy(kcal/mol) | 0.79 | -4.74 | -3.6 | -0.28 | 0.04 | -3.33 | -3.55 | -3.78 | -0.34 |
Type I collagen-Mean binding energy(kcal/mol) | 15.69 | -4.54 | -3.1 | 0.18 | 0.77 | -2.6 | -2.82 | -3.08 | 32.99 |
Type III collagen-Lowest binding energy(kcal/mol) | 0.11 | -4.94 | -3.56 | 0.27 | 0.44 | -2.93 | -3.21 | -3.23 | 1.26 |
Type III collagen-Mean binding energy(kcal/mol) | 16.42 | -4.71 | -2.87 | 0.77 | 1.29 | -2.42 | -2.87 | -2.87 | 11.74 |