Marmara University.
Acta Chim Slov. 2022 Jun 14;69(2):293-303. doi: 10.17344/acsi.2021.7119.
A new series of 2-pyrazoline derivatives starting from substituted benzodioxole chalcones were designed and synthesized. IR and 1H NMR spectral data and elemental analysis were used to characterize the structures of the synthesized compounds. The cytotoxic activities on HeLa, MCF-7 cancer cell lines and NIH-3T3 for these compounds were tested by using MTT assay. Among the synthesized compounds 2d, 2j, 3j and 3n against MCF-7 cells, and 3c against HeLa exhibited significant cytotoxic activity with IC50 between 10.08 and 27.63 μM. Compound 3f showed the most potent anticancer activity against both cancer cells with good selectivity (IC50 = 11.53 μM on HeLa with SI = 81.75 and IC50 = 11.37 μM on MCF-7 with SI = 82.90). Furthermore, in silico ADMET analyses were performed and the drug-likeness properties of the compounds were investigated.
从取代苯并二恶烷查耳酮出发，设计并合成了一系列新的 2-吡唑啉衍生物。利用红外光谱（IR）和 1H 核磁共振谱（1H NMR）数据及元素分析对合成化合物的结构进行了表征。采用 MTT 法测定了这些化合物对 HeLa、MCF-7 癌细胞系和 NIH-3T3 的细胞毒性。在所合成的化合物中，2d、2j、3j 和 3n 对 MCF-7 细胞，以及 3c 对 HeLa 细胞表现出显著的细胞毒性，IC50 值在 10.08 至 27.63 μM 之间。化合物 3f 对两种癌细胞均表现出最强的抗癌活性，具有良好的选择性（对 HeLa 的 IC50 = 11.53 μM，SI = 81.75；对 MCF-7 的 IC50 = 11.37 μM，SI = 82.90）。此外，还进行了基于计算机的 ADMET 分析，并研究了化合物的类药性。
