NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots

Table 4

The docking results of compounds 1 and 2 and standard (thiourea) against urease enzyme.

Compound	i-GEMDOCK score (kcal/mol)				AutoDock Vina score (kcal/mol)
	Total energy	VDW	H-bond	Elec.	Binding Affinity
1	−104	−93	−11	0	−6.8
2	−97	−85	−12	0	−6.3
Standard thiourea	−44	−24	−20	0	−3.4