Table 1.

Docking parameters of 6LU7 activities of monophosphonates.

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)
L1	−4.68	−1.31	−4.56	−5.87	370.17
L2	−4.86	−1.39	−4.66	−6.06	271.71
L3	−4.69	−1.40	−5.07	−6.48	367.09
L4	−4.74	−2.05	−4.77	−6.82	337.50
L5	−4.49	−1.43	−4.56	−5.98	511.73
L6	−4.48	−2.34	−3.34	−5.67	519.94
L7	−4.92	−0.45	−6.86	−7.31	246.47
L8	−5.22	−1.75	−5.26	−7.01	149.55
L9	−4.34	−1.12	−5.31	−6.43	659.71
L10	−4.55	−1.35	−4.99	−6.34	460.40
L11	−4.73	−1.28	−4.64	−5.92	343.16
L12	−5.91	+0.05	−7.75	−7.70	46.92