Synthesis, anticancer evaluation and in silico ADMET studies on urea/thiourea derivatives from gabapentin


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Türk S., Tok F. , Erdoğan Ö., Çevik Ö., Taşkın Tok T., Kaymakçıoğlu B. , ...Daha Fazla

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, cilt.195, sa.11, ss.1-7, 2020 (SCI Expanded İndekslerine Giren Dergi)

  • Cilt numarası: 195 Konu: 11
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1080/10426507.2020.1845678
  • Dergi Adı: PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
  • Sayfa Sayıları: ss.1-7

Özet

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.