Table 2. The XP docking and MM-GBSA values of two filtered compounds (3 and 4) and allopurinol.

Compounds	XO protein
	XP GlideScore (kcal/mol)	MM-GBSA (kcal/mol)	ΔGexp (kcal/mol)	No of H-bonds	Residues
3	-8.9	-37.3	-6.6	2	Glu 802, Thr 1010
4	-9.0	-32.0	-6.4	2	Glu 802, Thr 1010
Allopurinol	-5.9	-27.0	-6.2	2	Glu 802, Thr 1010