N-Hydroxy-N′-aminoguanidines as anti-cancer lead molecule: QSAR, synthesis and biological evaluation

The intrinsic pharmacophore model (rpred2 and rm2 of 0.858 and 0.725) has been developed and used as a query to screen in-house built library based on N-hydroxy-N’-aminoguanidine (HAG) analogs. The pharmacophoric modeled based HITs were synthesized and evaluated for anticancer activity and cytotoxicity. One of the compounds (15) appeared as promising lead candidate with an IC50 value of 11 μM yielded in HL-60 promyelocytic leukemia cells. Compound 15 reveals significantly lower cytotoxicity against HeLa and Vero cell with CC50 values of more than 100 μM.

Figure optionsDownload as PowerPoint slide