DNA Cleavage, Cytotoxic Activities, and Antimicrobial Studies of Ternary Copper(II) Complexes of Isoxazole Schiff Base and Heterocyclic Compounds

Table 5

(a) Gold Fitness values of the ligands DMIIMBP and DMIIMCP. (b) Chem score values of the ligands DMIIMBP and DMIIMCP.

(a)

S. number	Compound	Gold Fitness	S(hb_ext)	S(vdw_ext)	S(hb_int)	S(vdw_int)
1	DMIIMBP	57.67	4.67	41.97	0.00	−4.71
2	DMIIMCP	57.70	4.55	41.52	0.00	−3.94

(b)

S. number	Compound	Chem score	DG	S(hbond)	S(metal)	S(lipo)	DE(clash)	DE(int)
1	DMIIMBP	19.16	−19.44	1.88	0.00	87.41	0.03	0.25
2	DMIIMCP	19.03	−19.23	1.90	0.00	85.10	0.01	0.18