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Synthesis and antiproliferative activity of hybrid thiosemicarbazone derivatives bearing coumarin and d-galactose moieties with EGFR inhibitory activity and molecular docking study
Medicinal Chemistry Research ( IF 2.6 ) Pub Date : 2021-08-19 , DOI: 10.1007/s00044-021-02773-y
Vu Ngoc Toan 1 , Nguyen Dinh Thanh 2
Affiliation  

A series of substituted N-(2,3,4,6-tetra-O-acetyl-β-d-galactopyranosyl)thiosemicarbazones 5a5j of substituted 3-acetylcoumarins were synthesized with yields of 45–68%. All synthesized thiosemicarbazones were evaluated for cytotoxic activity against several cancer cell lines, such as human breast adenocarcinoma cells MCF7, human liver cancer cells HepG2, human cervical cancer cells HeLa, human melanoma cancer cells SK-Mel-2, and human lung cancer cells LU-1 by using the standard MTT assay. The IC50 values for these cancer cell lines were 1.28–11.81 μM (for MCF-7), 1.53–22.12 μM (for HepG2), 1.43–48.16 μM (for HeLa), 1.82–14.62 μM (for SK-Mel-2), and 1.74–14.62 μM (for LU-1). Most of the compounds were noncytotoxic against human WI-38 normal cell line (IC50 > 16.9 μM). The antiproliferative mechanisms were studied via EGFR inhibition and molecular docking. Docking studies revealed that there are strong interactions between a typical compound with the receptor of the EGFR tyrosine kinase domain with Erlotinib.



中文翻译:

具有 EGFR 抑制活性的带有香豆素和 d-半乳糖部分的杂化缩氨基硫脲衍生物的合成和抗增殖活性和分子对接研究

一系列取代的N- (2,3,4,6-四-O-乙酰基-β- d-吡喃半乳糖基)缩氨基硫脲5a - 5j的取代 3-乙酰香豆素被合成,产率为 45-68%。评估了所有合成的缩氨基硫脲对几种癌细胞系的细胞毒活性,例如人乳腺癌细胞 MCF7、人肝癌细胞 HepG2、人宫颈癌细胞 HeLa、人黑色素瘤癌细胞 SK-Mel-2 和人肺癌细胞 LU -1 通过使用标准 MTT 检测。IC 50这些癌细胞系的值为 1.28–11.81 μM(对于 MCF-7)、1.53–22.12 μM(对于 HepG2)、1.43–48.16 μM(对于 HeLa)、1.82–14.62 μM(对于 SK-Mel-2),以及1.74–14.62 μM(用于 LU-1)。大多数化合物对人 WI-38 正常细胞系无细胞毒性 (IC 50  > 16.9 μM)。通过EGFR抑制和分子对接研究了抗增殖机制。对接研究表明,典型化合物与 EGFR 酪氨酸激酶结构域的受体与厄洛替尼之间存在强相互作用。

更新日期:2021-08-19
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