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新型-(2-(吡嗪-2-基-氧基)乙基)-4-(三氟甲氧基)苯甲酰胺支架的合成、表征、生物学评价及分子对接研究

Synthesis and characterization of novel -(2-(pyrazin-2-yl-oxy)ethyl)-4-(trifluoromethoxy)benzamide scaffolds, and biological evaluation and molecular docking studies.

作者信息

Prasad B Venkata Konda, Haritha G Venkata, Shireesha Kavati, Jella Kumara Swamy, Ravi Dharavath, Ramesh Ajmeera

机构信息

Department of Chemistry, Chaitanya (Deemed to be University) Ranga Reddy Hyderabad Telangana 500075 India

Syngene International Ltd Hyderabad Telangana 500078 India.

出版信息

RSC Adv. 2025 May 23;15(22):17290-17301. doi: 10.1039/d5ra00879d. eCollection 2025 May 21.

Abstract

A new series of biologically potent -(2-(6-substituted-1-pyrazin-2-yloxy)ethyl)-4-(trifluoromethoxy)benzamide scaffolds was synthesized, and their structures were confirmed by H NMR, C 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, and . 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 IC 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.

摘要

合成了一系列新的具有生物活性的-(2-(6-取代-1-吡嗪-2-基氧基)乙基)-4-(三氟甲氧基)苯甲酰胺支架,并通过¹H NMR、¹³C NMR和质谱对其结构进行了确证。对所有合成的分子进行了针对各种致病微生物的抗菌活性测试,结果显示出显著的活性。化合物12a和13a对致病细胞系表现出良好的抗菌活性。此外,对合成分子12a和13a针对A549(肺癌)细胞系进行了抗癌活性筛选。这些化合物表现出优异的抗癌活性,A549(肺癌)的IC值为19 ± 0.50 μM、17 ± 0.5 μM。合成化合物与靶蛋白的强烈嵌入相互作用很好地支持了分子对接研究结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2611/12099287/398e271f1489/d5ra00879d-f1.jpg

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