Table 3.

Interaction energy of the N12-Rha with hesperidin, naringin and myricetrin based on MM-PBSA analysis, respectively

The interaction energy (kJ/mol)	Complexes
	N12–Rha & hesperidin	N12–Rha & naringin	N12–Rha & myricetrin
Van der Waal energy	− 118.712 ± 1.244	− 93.232 ± 1.521	− 86.340 ± 1.332
Electrostatic energy	− 33.498 ± 0.431	− 23.811 ± 0.220	− 73.750 ± 0.402
Polar solvation energy	118.870 ± 1.906	86.788 ± 1.737	140.665 ± 1.834
Non–Polar solvation energy	− 18.182 ± 0.371	− 17.071 ± 0.557	− 17.644 ± 0.331
Total energy (MM–PBSA)	− 51.522 ± 0.526	− 47.326 ± 0.637	− 37.068 ± 0.855