Journal
LIFE-BASEL
Volume 12, Issue 4, Pages -Publisher
MDPI
DOI: 10.3390/life12040519
Keywords
click chemistry; green synthesis; cytotoxicity; apoptosis; cheminformatics; protein kinase; tankyrase
Categories
Funding
- Deanship of Scientific Research at Majmaah University [R-2022-101]
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A library of 1,4-dihydropyridine-based 1,2,3-triazol derivatives was designed, synthesized, and evaluated for their cytotoxic potential against colorectal adenocarcinoma cells. Most of the compounds exhibited significant antiproliferative activity and some were found to induce apoptosis and cell cycle arrest.
A library of 1,4-dihydropyridine-based 1,2,3-triazol derivatives has been designed, synthesized, and evaluated their cytotoxic potential on colorectal adenocarcinoma (Caco-2) cell lines. All compounds were characterized and identified based on their H-1 and C-13 NMR (Nuclear Magnetic Resonance) spectroscopic data. Furthermore, molecular docking of best anticancer hits with target proteins (protein kinase CK2 alpha, tankyrase1, and tankyrase2) has been performed. Our results implicated that most of these compounds have significant antiproliferative activity with IC50 values between 0.63 +/- 0.05 and 5.68 +/- 0.14 mu M. Moreover, the mechanism of action of most active compounds 13ab ' and 13ad ' suggested that they induce cell death through apoptosis in the late apoptotic phase as well as dead phase, and they could promote cell cycle arrest at the G2/M phase. Furthermore, the molecular docking study illustrated that 13ad ' possesses better binding interaction with the catalytic residues of target proteins involved in cell proliferation and antiapoptotic pathways. Based on our in vitro and in silico study, 13ad ' was found to be a highly effective anti-cancerous compound. The present data indicate that dihydropyridine-linked 1,2,3-triazole conjugates can be generated as potent anticancer agents.
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