2-(1-((3-Substitutedureido/thioureido)methyl)cyclohexyl)acetic acid derivatives (1–9) were synthesized
from gabapentin. All the synthesized compounds were characterized by using IR, 1H-NMR,
13C-NMR spectroscopy, mass spectrometry and elemental analysis. Urea and thiourea derivatives
were investigated for their potential in vitro anticancer activities on PC3 and MCF7 cancer cell lines
using MTT assay. Cell apoptosis was detected by with Annexin V Assay. Our results showed that
compound 8 f2-(1-((3-(2,6-dichlorophenyl)ureido)methyl)cyclohexyl)acetic acidg significantly inhibited
the proliferation and growing of PC3 and MCF7 cells. Both cell types showed dysfunction of
cellular morphology which induced apoptosis 10 mM concentration of compound 8 treated cells.
Our results indicate that compound 8 might have significance as an anti-tumor agent against
human prostate and breast cancer. The theoretical structure and activity estimation via in silico
ADMET was also examined.