Abstract:
Six novel potential PARP1 inhibitors were identified by means of substructure search and molecular docking into PAPR1 active site; one compound (STK970217) potentiated the cytotoxicity of doxorubicin in hepatocellular carcinoma HepG2 cells being non-cytotoxic as a single agent, while three other identified compounds inhibited the growth of HepG2 cells both individually and in combination with doxorubicin.