新型N-(2-(吡嗪-2-基氧基)乙基)-4-(三氟甲氧基)苯酰胺支架的合成与表征、生物学评价与分子对接研究

IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
RSC Advances Pub Date : 2025-05-23 DOI:10.1039/D5RA00879D
Venkata Konda Prasad. B, G. Venkata Haritha, Kavati Shireesha, Kumara Swamy Jella, Dharavath Ravi and Ajmeera Ramesh
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引用次数: 0

摘要

合成了一系列具有生物活性的N-(2-(6-取代-1H-pyrazin-2-yloxy)乙基)-4-(三氟甲氧基)苯酰胺支架,并通过 1H NMR、13C NMR和质谱对其结构进行了证实。所有合成的分子对多种病原微生物进行了抑菌活性测试,显示出显著的抑菌活性。化合物12a和13a对病原菌、金黄色葡萄球菌和大肠杆菌具有良好的抑菌活性。此外,合成的分子12a和13a对A549(肺癌)细胞系进行了抗肿瘤活性筛选。这些化合物具有良好的抗癌活性,IC50值分别为19 + 0.50 μM、17±0.5 μM、A549(肺癌)。合成的化合物与靶蛋白具有很强的插层相互作用,为分子对接研究结果提供了良好的支持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis and characterization of novel N-(2-(pyrazin-2-yl-oxy)ethyl)-4-(trifluoromethoxy)benzamide scaffolds, and biological evaluation and molecular docking studies†

A new series of biologically potent N-(2-(6-substituted-1H-pyrazin-2-yloxy)ethyl)-4-(trifluoromethoxy)benzamide scaffolds was synthesized, and their structures were confirmed by 1H NMR, 13C NMR, and mass spectrometry. All the synthesized molecules were tested against antibacterial activity against various pathogenic microorganisms and exhibited remarkable activity. Compounds 12a and 13a exhibited good antibacterial activity against pathogenic cell lines, Staphylococcus aureus and Escherichia coli. Additionally, synthesized molecules 12a and 13a were screened for anticancer activity against the A549 (lung cancer) cell line. These compounds displayed excellent anticancer activity with IC50 values of 19 + 0.50 μM, 17 ± 0.5 μM, A549 (lung cancer). Molecular docking studies results were well supported by strong intercalative interactions of the synthesized compounds with target proteins.

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来源期刊
RSC Advances
RSC Advances chemical sciences-
CiteScore
7.50
自引率
2.60%
发文量
3116
审稿时长
1.6 months
期刊介绍: An international, peer-reviewed journal covering all of the chemical sciences, including multidisciplinary and emerging areas. RSC Advances is a gold open access journal allowing researchers free access to research articles, and offering an affordable open access publishing option for authors around the world.
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