New benzothiazole-based derivatives were synthesized in the present work with the aim of evaluating their antitumor activity. They were in vitro tested against hepatocellular carcinoma (HepG2), colorectal carcinoma (HCT-116), mammary gland cancer (MCF-7), prostate cancer (PC-3), and epithelioid carcinoma (HeLa). The results of the in vitro antitumor evaluation revealed that the most active compounds were 39, 40, 51, 56, and 61 exhibiting IC₅₀ values comparable to the reference drug lapatinib. The most active compounds were further subjected to EGFR inhibitory activity assay to rationalize their potency mode. Notably, the most active antitumor compounds 39 and 40 represented the most potent inhibitors to EGFR with IC₅₀ values of 24.58 and 30.42 nM respectively in comparison with 17.38 nM for lapatinib as a standard drug. Molecular modeling studies were also conducted for the synthesized compounds, including docking into EGFR active site and surface mapping. Results proved the superior binding of the hydrazone derivatives 39 and 40 with EGFR suggesting them as good candidates for targeted antitumor therapy through EGFR kinase inhibition.

在本工作中合成了新的基于苯并噻唑的衍生物，旨在评估其抗肿瘤活性。他们在体外针对肝细胞癌（HepG2），大肠癌（HCT-116），乳腺癌（MCF-7），前列腺癌（PC-3）和上皮样癌（HeLa）进行了测试。所述的结果在体外抗肿瘤评价，发现该最活跃的化合物是39，40，51，56，和61显示出IC ₅₀值与参考药物拉帕替尼相当。将最具活性的化合物进一步进行EGFR抑制活性测定，以使其效力模式合理化。值得注意的是，最具活性的抗肿瘤化合物39和40代表最有效的EGFR抑制剂，IC ₅₀值分别为24.58和30.42 nM，而拉帕替尼作为​​标准药物的IC ₅₀值为17.38 nM。还对合成化合物进行了分子建模研究，包括对接至EGFR活性位点和表面作图。结果证明了derivatives衍生物39和40与EGFR的优异结合，表明它们是通过EGFR激酶抑制作用进行靶向抗肿瘤治疗的良好候选者。