Table 2.

MM/PBSA binding free energy of the F13-polyphenol complexes computed using 200 snapshots extracted at equal interval of time from the last 100 ns trajectories of each system.

Complex	Vander Waal energy (KJ/mol)	Electrostatic energy (KJ/mol)	Polar solvation energy (KJ/mol)	SASA energy (KJ/mol)	Binding energy (KJ/mol)
Myricetin	−109.01 ± 0.96	−103.50 ± 1.75	191.29 ± 2.41	−14.29 ± 0.07	−35.50 ± 1.18
Matairesinol	−24.84 ± 2.11	−4.36 ± 0.69	22.17 ± 4.05	−3.32 ± 0.27	−10.23 ± 4.02
Demethoxycurcumin	−146.01 ± 2.13	−54.17 ± 1.27	153.88 ± 2.72	−18.51 ± 0.24	−64.86 ± 1.30
Piceatannol	−121.55 ± 0.78	−36.46 ± 1.60	123.10 ± 2.13	−14.63 ± 0.06	−49.44 ± 1.42
Curcumin	−88.32 ± 2.58	−20.86 ± 1.30	72.79 ± 3.49	−12.11 ± 0.34	−48.53 ± 1.80
Ellagic Acid	−79.53 ± 1.62	−35.96 ± 2.68	97.47 ± 3.15	−10.03 ± 0.12	−28.25 ± 1.60