Table 5.
Phenolic Structure |
Docking Score | Grid Energy | |||||
---|---|---|---|---|---|---|---|
Min | Max | Average | Min | Max | Average | ||
Phytosome designed with lecithin | Gallic acid | −4.47 | −4.86 | −4.73 ± 0.23 | −29.98 | −31.37 | −30.83 ± 0.75 |
Ellagic acid | −4.32 | −4.47 | −4.31 ± 0.15 | −31.33 | −4.47 | −32.88 ± 1.31 | |
Quercetin | −5.31 | −5.41 | −5.05 ± 0.50 | −29.90 | −34.23 | −33.04 ± 2.57 | |
Catechin | −3.50 | −5.36 | −4.49 ± 0.66 | −19.71 | −38.93 | −29.14 ± 9.18 | |
Epicatechin | −3.38 | −5.23 | −4.36 ± 0.66 | −22.43 | −39.96 | −33.05 ± 6.71 | |
Phytosome designed with lecithin conjugated with cholesterol | Gallic acid | −4.06 | −4.13 | −4.09 ± 0.04 | −12.66 | −15.75 | −14.62 ±1.70 |
Ellagic acid | −3.54 | −3.75 | −3.62 ± 0.10 | −18.79 | −19.24 | −19.05 ± 0.21 | |
Quercetin | −5.12 | −6.79 | −5.69 ± 0.65 | −23.47 | −26.29 | −25.01 ± 1.15 | |
Catechin | −5.93 | −6.95 | −6.42 ± 0.44 | −21.62 | −25.47 | −23.51 ± 1.41 | |
Epicatechin | −4.89 | −7.15 | −6.50 ± 0.57 | −20.84 | −25.09 | −24.09 ± 1.49 |
Docking score exhibited the number of hydrogen bindings occurring between structures. Lower docking scores denote a higher hydrogen binding.