Abstract:
Various 1,3,4-oxadiazole-2-thiol derivatives have considerable potential in the field of antitumor activity.
On the basis of the structure of the highly active reported oxadiazole analogues, 36 novel compounds were
designed. Their molecular transport properties were predicted using a computer-aided program, and they
were then synthesized and tested for anticancer activity against the breast cancer cell line MCF-7. Most of
the tested compounds showed excellent to potent cytotoxic activity. Docking studies were carried out to examine
the possibilities of the target compounds to become lead compounds in the future after more biological
investigations. Compounds 18 and 22 were more active than the reference drug with IC50 values of 0.010 μM
and 0.012 μM, respectively, and binding energy scores of 10.32 and 10.25, respectively.
