Table 3.

Docking parameters of 6LU7 activities of tetraphosphonates.

No	ΔG bindig (kcal/mol)	Electrostatic Energy (kcal/mol)	vdW + Hbond + desolv Energy (kcal/mol)	Final Intermolecular Energy (kcal/mol)	Est. Inhibition Constant, Ki (µM)
L43	−3.72	−0.57	−9.12	−9.69	1860
L44	−5.23	−1.64	−8.36	−10.01	145.73
L45	−4.44	−0.15	−10.26	−10.41	551.97
L46	−4.20	+0.16	−10.32	−10.17	834.95
L47	−4.41	−0.14	−10.24	−10.38	584.15
L48	−4.01	−2.43	−8.74	−11.17	1150
L49	−1.60	−1.34	−6.53	−7.87	6530
L50	−2.31	−0.58	−7.69	−8.28	20,000
L51	−1.53	−1.21	−6.29	−7.50	75,000