Research Article
Synthesis and Inhibiting Activity of Some 4-Hydroxycoumarin Derivatives on HIV-1 Protease
Table 1
Structural information and binding activity of the experimental compounds.
| | Experimental ligands | Substituents | IC50 (M) | G-score | E-model |
| | (1) 4-hydroxy-3-(1-phenoxypropyl)-2H-chromen-2-one | R = –C 3H6 –O–C6H5,
R1 = H | 2.7 | −7.04 | −62.5 | | (2) 3-(3,4-dimethoxybenzyl)-4-hydroxy-2H-chromen-2-one | R = 3,4-dimethoxybenzyl,
R1 = H | 84 | −6.17 | −60.1 | | (3) 3-(3,4-dimethoxybenzyl)-4-hydroxy-8-methyl-2H-chromen-2-one | R = 3,4-dimethoxybenzyl,
R1 = –CH3 | 23 | −6.17 | −59.5 | | (4) 3-benzyl-4-hydroxy-8-phenyl-2H-chromen-2-one | R = –benzyl,
R1 = –phenyl | 8.1 | −6.27 | −57.0 | (5) 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
(Warfarin) | R = C6H5CHCH2COCH3
R1 = H | 18 | −6.77 | −58.8 |
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