Abstract

A new series of urea and thiourea bearing thiophene-2-carboxalate derivatives has been designed against protein tyrosine phosphatase 1B (PTP1B) active site, synthesized and charecterized by ¹H and ¹³C NMR, and mass spectra. The compounds have been evaluated for in vitro anticancer activity against different cancer cell lines using the MTT colorimetric assay and doxorubicin as a standard drug. Among the tested compounds, methyl 3-methoxy-4-{4-[3-(4-methoxyphenyl)thioureido]phenyl}thiophene-2-carboxylate demonstrates the highest inhibitory activity against MCF-7, K562, HepG2, MDA-MB-231, and HeLa cell lines. The new molecular structures and their interactions with PNP1B have been evaluated by docking studies.

中文翻译：

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新型尿素和硫脲类噻吩-2-羧酸盐衍生物的合成及抗癌活性

摘要

针对蛋白质酪氨酸磷酸酶1B（PTP1B）活性位点，设计了一系列带有噻吩-2-羧酸盐衍生物的尿素和硫脲，并通过¹ H和¹³ C NMR和质谱对其进行了表征。使用MTT比色测定法和阿霉素作为标准药物，已评估了该化合物对不同癌细胞系的体外抗癌活性。在测试的化合物中，3-甲氧基-4- {4- [4- [3-（4-甲氧基苯基）硫脲基]苯基}噻吩-2-羧酸甲酯显示出对MCF-7，K562，HepG2，MDA-MB-的最高抑制活性231和HeLa细胞系。通过对接研究评估了新的分子结构及其与PNP1B的相互作用。