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. 2016 Feb 10;11(2):e0149014. doi: 10.1371/journal.pone.0149014

Table 1. Average MM/PBSA free energies of MDM2-polyphenol complexes calculated from the MD simulations performed in triplicate.

Ligands Van der waal (kJ/mol) Electrostattic (kJ/mol) Polar salvation (kJ/mol) Non-polar salvation (kJ/mol) Binding energy (kJ/mol)
Apigenin -149.81±11.91 -23.65±1.41 47.08±10.91 -14.22±0.76 -139.48±3.53
Fisetin -154.62±1.20 -36.39±13.53 32.29±0.23 -13.74±0.50 -172.25±13.70
Galangin -152.04±13.27 -12.98±5.90 36.54±4.60 -13.01±0.93 -142.48±1.40
Luteolin -170.40±20.29 -12.42±9.10 23.84±0.97 -14.82±0.028 -173.80±4.34