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Cell cycle inhibition, apoptosis, and molecular docking studies of the novel anticancer bioactive 1,2,4-triazole derivatives

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Abstract

Several 3-alkylsulfanyl-1,2,4-triazole derivatives were synthesized and their relevant structures confirmed based on their elemental analysis and nuclear magnetic resonance. The anticancer activity of all the derivatives was evaluated for A549, MCF7, and SKOV3 cell lines by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide assay wherein compound 5e demonstrated significant anti-proliferative activities against all cell lines whereas 5b and 5e showed efficient anti-proliferative actions in SKOV3 cell line having half maximal inhibitory concentration (IC50) values of 0.81 and 0.53 μM, respectively. Furthermore, compound 5e was found to drive remarkable cell cycle arrest at the G2/M phase for SKOV3 cell lines in a concentration-dependent behavior. Molecular docking studies performed with these derivatives validated them as appropriate candidates for further studies of their potential anticancer activity.

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Correspondence to Mohammad A. Khalilzadeh.

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Ghanaat, J., Khalilzadeh, M.A., Zareyee, D. et al. Cell cycle inhibition, apoptosis, and molecular docking studies of the novel anticancer bioactive 1,2,4-triazole derivatives. Struct Chem 31, 691–699 (2020). https://doi.org/10.1007/s11224-019-01453-3

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