Herein, we report the synthesis, evaluation for HIV integrase (IN) inhibition and docking studies for a series of 4-substitutedbenzylideneisoquinoline-1,3(2H,4H)-dione derivatives (11a-11p). All the derivatives were found to inhibit HIV-1 IN enzyme in vitro and most active compound (11f) showed IC50 value of 1.83 µM. Molecular docking studies were also performed to justify the IN inhibition and in vitro-in silico correlation was drawn. However, in cell culture studies, these compounds did not show HIV-1 and HIV-2 inhibition below their cytotoxic concentration indicating that these compounds must be structurally modified for anti-HIV activity.
