本研究报告了一系列新的1,10-菲咯啉取代的咪唑鎓盐(1a-f),检查他们的设计,合成,结构和抗癌活性。这些盐(1a-f)的结构用1H,13CNMR,元素分析,质谱和傅里叶变换红外(FT-IR)光谱。针对癌细胞系测试了盐的细胞毒性活性,特别是MCF-7,MDA-MB-231和非致瘤性MCF-10A乳腺细胞。该研究比较了盐结构中脂肪族和苄基对其抗癌活性的影响。筛选结果显示,化合物1c,特别是,显示出对MDA-MB-231乳腺癌细胞生长的有希望的抑制活性,IC50值为12.8±1.2μM,表明其作为化学治疗剂的潜力。细胞凋亡分析显示化合物1c有诱导乳腺癌细胞早期凋亡的趋势。使用1HNMR光谱法研究化合物Ic的稳定性/水合作用,并且通过UV-Vis光谱法探索其与DNA的结合模式。此外,本研究使用分子对接技术研究了化合物1c和参比药物阿霉素对Bax和Bcl-2蛋白的相互作用残基和对接评分.
This study reports a new series of 1,10-phenanthroline-substituted imidazolium salts (1a-f), examining their design, synthesis, structure and anticancer activities. The structures of these salts (1a-f) were characterized using 1H, 13C NMR, elemental analysis, mass spectrometry and Fourier transform infrared (FT-IR) spectroscopies. The salts\' cytotoxic activities were tested against cancer cell lines, specifically MCF-7, MDA-MB-231 and non-tumorigenic MCF-10A mammary cells. The study compared the impact of aliphatic and benzylic groups in the salts\' structure on their anticancer activity. Screening results revealed that compound 1c, in particular, showed promising inhibitory activity against the growth of MDA-MB-231 breast cancer cells, with an IC50 value of 12.8 ± 1.2 μM, indicating its potential as a chemotherapeutic agent. Cell apoptosis analysis demonstrated a tendency for compound 1c to induce early apoptosis in breast cancer cells. The stability/aquation of compound 1c was investigated using 1H NMR spectroscopy and its binding modes with DNA were explored via UV-Vis spectroscopy. Additionally, the study investigated the interaction residues and docking scores of compound 1c and the reference drug doxorubicin against Bax and Bcl-2 proteins using molecular docking.