Synthesis and Inhibiting Activity of Some 4-Hydroxycoumarin Derivatives on HIV-1 Protease

Table 2

Scoring function values of the tested compounds, according to the experimental ligands (1)–(5).

Code	Ligand (1)		Ligand (2)		Ligand (3)		Ligand (4)		Ligand (5)
	G-score	E-model	G-score	E-model	G-score	E-model	G-score	E-model	G-score	E-model
(10)	−6.96	−71.8	−7.31	−77.2	−6.90	−74.8	−6.18	−65.5	−7.08	−75.2
(9)	−5.73	−61.0	−7.00	−72.0	−7.00	−73.4	−5.44	−56.3	−7.02	−73.1
(7)	−5.63	−51.9	−7.46	−65.6	−6.04	−62.6	−5.97	−58.4	−7.85	−79.0
(8)	−6.23	−67.5	−6.26	−68.2	−6.11	−64.6	−6.11	−65.2	−6.31	−69.0
(11)	−5.78	−64.4	−6.04	−65.6	−5.94	−65.6	−5.84	−59.7	−6.00	−63.5
(12)	−5.36	−47.9	−6.13	−58.7	−6.42	−61.1	−5.75	−53.6	−6.41	−61.0