Design, synthesis, biological evaluation and molecular docking studies of phenylpropanoid derivatives as potent anti-hepatitis B virus agents.

摘要: Abstract A series of phenylpropanoid derivatives were synthesized, and their anti-hepatitis B virus (HBV) activity was evaluated in HepG 2.2.15 cells. Most the synthesized showed effective anti-HBV activity. Of these compounds, compound 4c-1 most potent activity, demonstrating inhibitory effect not only on secretion HBsAg (IC 50  = 14.18 μM, SI = 17.85) HBeAg  = 6.20 μM, SI = 40.82) but also HBV DNA replication  = 23.43 μM, SI = 10.80). The structure–activity relationships (SARs) had been discussed, which useful for to be explored developed as novel agents. Moreover, docking study all compounds inside HLA-A protein (PDB ID: 3OX8 ) active site carried out explore molecular interactions a target with using moe-docking technique. This identified new class