香豆素-哌嗪系 1,2,3-三唑类化合物：表皮生长因子受体靶向抗乳腺癌评估和分子对接研究

IF 2.4 3区化学 Q2 CHEMISTRY, ORGANIC

Polycyclic Aromatic Compounds Pub Date : 2024-09-13 DOI:10.1080/10406638.2023.2265026

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引用次数: 0

摘要

我们合成了一系列新的香豆素-哌嗪-1,2,3-三唑杂化物（7a-7n），并筛选了它们对 MCF-7、MDA-MB-468 和 MDA-MB-231 癌细胞株的体外抗乳腺癌活性。结果显示，化合物 7f 对所有细胞株的活性都优于标准药物 5-氟尿嘧啶。此外，化合物 7e、7h 和 7k 对 MCF-7 的活性也高于阳性对照。此外，7f 和 7h 在抑制酪氨酸激酶表皮生长因子受体（EGFR）方面的效力高于标准药物厄洛替尼。最后，对表皮生长因子受体（EGFR）（PDB ID-4HJO）进行的硅学分子对接研究表明，与厄洛替尼相比，化合物 7e、7f、7h 和 7k 具有良好的结合能和抑制常数。

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Coumarin-Piperazine Tethered 1,2,3-Triazoles: EGFR Targeting Anti-Breast Cancer Evaluation and Molecular Docking Studies

We synthesized a new series of coumarin-piperazine 1,2,3-triazole hybrids (7a–7n) and screened for their in vitro anti-breast cancer activity against MCF-7, MDA-MB-468, and MDA-MB-231 cancer cell lines. The results revealed that compound 7f showed superior activity against all cell lines than the standard drug 5-fluorouracil. As well, compounds 7e, 7h, and 7k showed greater activity against MCF-7 than the positive control. Furthermore, 7f and 7h showed higher potency in inhibiting tyrosine kinase epidermal growth factor receptor (EGFR) than the standard drug erlotinib. Finally, in silico molecular docking studies on EGFR (PDB ID-4HJO) revealed that compounds 7e, 7f, 7h, and 7k possess good binding energies and inhibition constants as compared to erlotinib.

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来源期刊

Polycyclic Aromatic Compounds 化学-有机化学

CiteScore

3.70

自引率

20.80%

发文量

412

审稿时长

3 months

期刊介绍： The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.