Design, synthesis, anticancer evaluation and molecular docking studies of 1,2,3-triazole incorporated 1,3,4-oxadiazole-Triazine derivatives

A new library of 1,2,3-triazole-incorporated 1,3,4-oxadiazole-triazine derivatives (9a-j) was designed, synthesized, and tested in vitro for anticancer activity against PC3 and DU-145 (prostate cancer), A549 (lung cancer), and MCF-7 (breast cancer) cancer cell lines using the MTT assay with etoposide as the control drug. The compounds exhibited remarkable anticancer activity, with IC50 values ranging from 0.16 & PLUSMN; 0.083 & mu;M to 11.8 & PLUSMN; 7.46 & mu;M, whereas the positive control ranged from 1.97 0.45 & mu;M to 3.08 0.135 & mu;M. Compound 9 d with a 4-pyridyl moiety shown exceptional anticancer activity against PC3, A549, MCF-7, and DU-145 cell lines, with IC50 values of 0.17 & PLUSMN; 0.063 & mu;M, 0.19 & PLUSMN; 0.075 & mu;M, 0.51 & PLUSMN; 0.083 & mu;M, and 0.16 & PLUSMN; 0.083 & mu;M, respectively.

Automated summary

A library of 1,2,3-triazole-incorporated 1,3,4-oxadiazole-triazine derivatives (9a-j) was designed, synthesized, and tested for anticancer activity. The compounds showed remarkable anticancer activity against prostate, lung, and breast cancer cell lines, with IC50 values ranging from 0.16 ± 0.083 μM to 11.8 ± 7.46 μM. Compound 9d, with a 4-pyridyl moiety, exhibited exceptional anticancer activity against multiple cancer cell lines.