Han, Jinhe published the artcileMolecular design, synthesis, and biological evaluation of bisamide derivatives as cyclophilin A inhibitors for HCV treatment, Recommanded Product: 2,2-Dimethoxyethanamine, the main research area is bisamide preparation mol design docking SAR antiviral human; Bisamide; Cyclophilin A inhibitor; Hepatitis C virus; Molecular modeling; Ugi reaction.
Hepatitis C virus (HCV) is a major cause of end-stage liver diseases. Direct-acting antivirals including inhibitors of nonstructural proteins (NS3/4A protease, NS5A, and NS5B polymerase), represent key components of anti-HCV treatment. Previous reports have shown that bisamides could be a novel class of cyclophilin A (CypA) inhibitors for treating HCV as a member of combinational therapies. To fully elucidate SARs of bisamide derivatives and find a better hit compound with diverse binding modes, sixteen bisamides I (R1 = Cy, t-Bu; R2 = C6H5, 3,4-MeO2C6H3, 3,4,5-MeO3C6H2, 2,3,4-MeO3C6H2; R3 = C6H5, 4-MeOC6H4, 4-BrC6H4, etc.; R4 = indol-2-yl, 1-(4-methoxybenzyl)-1H-indol-3-ylmethyl, 1H-indol-3-ylmethyl) were designed with the help of docking program. They were then synthesized using one-pot four-component Ugi reaction. Compound I (R1 = Cy; R2 = 3,4,5-MeO3C6H2; R3 = (3,4-dimethoxyphenyl)ethyl; R4 = 1H-indol-3-ylmethyl) with selectivity index of more than 18.9 (50% effective concentration of 5.3μM, but no cytotoxicity at 100μM) and unique binding mode that could be dived into gatekeeper pocket was selected as a new hit compound Surface plasmon resonance experiments revealed that the above compound is able to bind to CypA with a KD of 3.66μM. Taken together, these results suggest that the above compound as a CypA inhibitor could be used as an alternative anti-HCV agent in combinational therapy in the future.
European Journal of Medicinal Chemistry published new progress about Antiviral agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Recommanded Product: 2,2-Dimethoxyethanamine.
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