Synthesis, Characterization, and Preliminary In Vitro Cytotoxic Evaluation of a Series of 2-Substituted Benzo [d] [1,3] Azoles

A series of benzo [d] [1,3] azoles 2-substituted with benzyl- and allyl-sulfanyl groups were synthesized, and their cytotoxic activities were in vitro evaluated against a panel of six human cancer cell lines. The results showed that compounds BTA-1 and BMZ-2 have the best inhibitory effects, compound BMZ-2 being comparable in some cases with the reference drug tamoxifen and exhibiting a low cytotoxic effect against healthy cells. In silico molecular coupling studies at the tamoxifen binding site of ER alpha and GPER receptors revealed affinity and the possible mode of interaction of both compounds BTA-1 and BMZ-2.

Automated summary

Two benzo[d][1,3]azoles 2-substituted with benzyl- and allyl-sulfanyl groups, BTA-1 and BMZ-2, showed promising cytotoxic activities against six human cancer cell lines in vitro. BMZ-2 exhibited comparable inhibitory effects to tamoxifen in some cases and displayed low cytotoxicity against healthy cells. Computational molecular docking studies revealed the affinity and possible interactions of both compounds with the tamoxifen binding site on ER alpha and GPER receptors.