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Synthesis and anti-proliferative activity of a novel 1,2,3-triazole tethered chalcone acetamide derivatives.
Bioorganic & Medicinal Chemistry Letters ( IF 2.7 ) Pub Date : 2020-06-04 , DOI: 10.1016/j.bmcl.2020.127304
Satheeshvarma Vanaparthi 1 , Rajashaker Bantu 1 , Nishant Jain 2 , Sridhara Janardhan 3 , Lingaiah Nagarapu 1
Affiliation  

A new series of 1,2,3-triazole tethered chalcone acetamide derivatives (7a-c & 8a-r) have been synthesized in excellent yields and their structures were determined by analytical and spectral (FT-IR, 1H NMR, 13C NMR & HRMS) studies. The newly synthesized derivatives were evaluated for their cytotoxic activity against four human cancer cell lines, such as HeLa (Human cervical cancer), A549 (Human alveolar adenocarcinoma), MCF-7 (Human breast adenocarcinoma) and SKNSH (Human brain cancer). Among them, compound 7c exhibited good anti-proliferation activity with HeLa (IC50 7.41 + 0.8 μM), SKNSH (IC50 8.68 + 1.1 μM), MCF-7 (IC50 9.76 + 1.3 μM) and MDA-MB-231, while compounds 7a and 7b showed promising anti-proliferation against above four human cancer cell lines with IC50 7.95–11.62 μM, respectively, compared with the standard drug Doxorubicin. We explored the probable key active site and binding mode interactions in HDAC8 (PDB ID:3SFH) and EHMT2 (PDB ID:3K5K) proteins. The docking results are complementary to the experimental observations.



中文翻译:

新型1,2,3-三唑系链查尔酮乙酰胺衍生物的合成和抗增殖活性。

以优异的产率合成了一系列新的1,2,3-三唑系链查尔酮乙酰胺衍生物(7a-c8a-r),并通过分析和光谱(FT-IR,1 H NMR,13 C)确定了其结构NMR和HRMS)研究。评价了新合成的衍生物对四种人类癌细胞系的细胞毒活性,所述四种人类癌细胞系诸如HeLa(人类宫颈癌),A549(人类肺泡腺癌),MCF-7(人类乳腺腺癌)和SKNSH(人类脑癌)。其中,化合物7c对HeLa(IC 50 7.41 + 0.8μM),SKNSH(IC 50 8.68 + 1.1μM ),MCF-7(IC 50)具有良好的抗增殖活性与标准药物阿霉素相比,化合物7a7b分别具有IC 50 7.95–11.62μM的抗人增殖能力,而化合物7a7b分别对上述四种人类癌细胞系的抗增殖性有希望,其IC 50为7.95-11.62μM。我们探索了HDAC8(PDB ID:3SFH)和EHMT2(PDB ID:3K5K)蛋白中可能的关键活性位点和结合模式的相互作用。对接结果是对实验观察结果的补充。

更新日期:2020-06-04
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