评估作为潜在抗乳腺癌药物的一系列新姜黄素衍生物:体外和体内特征的综合分析

IF 3.8 Q2 CHEMISTRY, PHYSICAL Chemical Physics Impact Pub Date : 2024-06-22 DOI:10.1016/j.chphi.2024.100663
R. Yuvashri , Era Dravida Thendral , D. Reuben Jonathan , A. Anish Fathima , K. Laavanya , G. Usha
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引用次数: 0

摘要

本研究利用克莱森-施密特缩合反应&;肖腾-鲍曼反应合成了一系列姜黄素衍生物,并通过体内和体外分析筛选出它们作为抗乳腺癌潜在药物的能力。分子对接显示,这些化合物与目标蛋白质的活性位点区域非常吻合。抗癌活性显示,即使在低浓度下,化合物对 MCF-7 细胞系也有很高的活性。在合成的化合物中,一组 5 个化合物(B 组)即使在高浓度下也对正常细胞株无毒性作用,而另一组 6 个化合物(A 组)则显示出毒性作用。这些化合物的药物相容性和药代动力学特性表明,它们可以作为抗乳腺癌的先导药物材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Evaluating a series of new curcumin derivatives as potential anti-breast cancer agents: A collective analysis of in-vitro and in-silico characterization

In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.

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来源期刊
Chemical Physics Impact
Chemical Physics Impact Materials Science-Materials Science (miscellaneous)
CiteScore
2.60
自引率
0.00%
发文量
65
审稿时长
46 days
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