A series of Meldrum's acid, 7-azaindole and 1,2,3-triazole hybrids were synthesized and evaluated for their in vitro anticancer activity against five different cancer cell lines viz. MCF-7 (breast cancer), HeLa (cervical cancer), DU-145 (prostate cancer), HepG2 (liver cancer) and K562 (myelogenous leukemia cell). Among the series, compound 6b containing a 4-methyl substitution showed potent activity against HeLa cell line. Cell cycle analysis revealed that compound 6b induced cell cycle arrest at the G2/M phase and induced apoptosis. Apoptotic activity was further confirmed by Hoechst staining and Annexin V-FITC assay. Compound 6b has been found to exhibit higher activity in all four cell lines, with IC₅₀ values of 6.67 ± 0.39 μM, 4.44 ± 0.32 μM, 12.38 ± 0.51 μM and 9.97 ± 0.25 μM against MCF-7, HeLa, DU-145 and HepG2 cell lines respectively. Compounds 6m (9.68 ± 0.10 μM) and 6n (9.52 ± 0.38 μM), which have dimethoxy and trimethoxy substitutions, respectively, have demonstrated significant anticancer activity against HeLa cells compared to the other cells. The molecular docking study of ligand 6b against the crystal structure of EGFR and Mcl-1 scored notable binding energy values and displayed important interactions like H-bond, π–cation and other hydrophobic interactions.

中文翻译：

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作为抗癌剂的 Meldrum 酸基 7-氮杂吲哚锚定 1,2,3-三唑杂化物的设计和合成

合成了一系列 Meldrum 酸、7-氮杂吲哚和 1,2,3-三唑杂化物，并评估了它们对五种不同癌细胞系（即 10 种不同癌细胞系）的体外抗癌活性。 MCF-7（乳腺癌）、HeLa（宫颈癌）、DU-145（前列腺癌）、HepG2（肝癌）和 K562（骨髓性白血病细胞）。在该系列中，含有 4-甲基取代的化合物6b显示出针对 HeLa 细胞系的有效活性。细胞周期分析显示化合物6b诱导细胞周期停滞在G2/M期并诱导细胞凋亡。通过Hoechst染色和Annexin V-FITC测定进一步证实了细胞凋亡活性。已发现化合物6b在所有四种细胞系中均表现出较高的活性，针对 MCF-7、HeLa、DU- ₁₄₅和分别为HepG2细胞系。化合物6m (9.68 ± 0.10 μM) 和6n (9.52 ± 0.38 μM) 分别具有二甲氧基和三甲氧基取代基，与其他细胞相比，已证明对 HeLa 细胞具有显着的抗癌活性。配体6b与 EGFR 和 Mcl-1 晶体结构的分子对接研究获得了显着的结合能值，并显示了重要的相互作用，如氢键、π-阳离子和其他疏水相互作用。