MM-PBSA binding free energies of XO with febuxostat, techtochrysin and combination of febuxostat and techtochrysin between 60 ns and 80 ns.

Parameters Energy (kJ mol−1)	Enzyme–ligand complexes
	XO febuxostat	XO techtochrysin	XO febuxostat + techtochrysin
van der Waals	−130.579 ± 8.794	−116.160 ± 8.808	−305.083 ± 17.785
Electrostatic	−4.010 ± 5.965	−29.914 ± 7.183	−41.452 ± 12.930
Polar solvation	85.946 ± 15.337	89.942 ± 9.335	215.747 ± 15.410
SASA	−16.184 ± 0.933	−14.028 ± 0.778	−29.371 ± 1.458
Binding free	−64.827 ± 12.697	−70.160 ± 10.891	−160.158 ± 18.514