Hamurcu Fatma
Department of Molecular Biology and Genetics, Faculty of Science, Bartin University, Bartin, Turkey.
J Biochem Mol Toxicol. 2023 Dec;37(12):e23512. doi: 10.1002/jbt.23512. Epub 2023 Aug 28.
In the present study, new Schiff bases derived from pentafluorophenyl-hydrazine (L1, L2, L3, L4) were synthesized and their structures were characterized by H nuclear magnetic resonance spectroscopy (NMR), C NMR, F NMR, fourier transform infrared spectroscopy, and elemental analysis methods. Then, the anticancer activities of the obtained compounds were investigated using three human cancer cell lines (A2780, over; Caco-2, colon; and HT-29 colon carcinoma cell lines). According to the obtained cytotoxicity results, compound number L4 was found to have the highest anticancer activity in A2780 (over) and Caco-2 (colon) cell lines. Furthermore, in silico, ADMET properties, where studies play an important role in the development and prediction of drug compounds, were calculated using web-based platforms. In addition, molecular docking studies were performed to evaluate the binding interactions between the synthesized pentafluorophenyl-hydrazone compounds and the MDM2 protein (4JSC). Both in vitro and in silico results showed that the synthesized compounds could act as potent anticancer agents.
在本研究中，合成了源自五氟苯基肼的新型席夫碱（L1、L2、L3、L4），并通过氢核磁共振光谱（NMR）、碳核磁共振、氟核磁共振、傅里叶变换红外光谱和元素分析方法对其结构进行了表征。然后，使用三种人类癌细胞系（A2780，卵巢；Caco-2，结肠；以及HT-29结肠癌细胞系）研究了所得化合物的抗癌活性。根据获得的细胞毒性结果，发现化合物L4在A2780（卵巢）和Caco-2（结肠）细胞系中具有最高的抗癌活性。此外，在计算机模拟中，使用基于网络的平台计算了ADMET性质，这些研究在药物化合物的开发和预测中起着重要作用。此外，进行了分子对接研究，以评估合成的五氟苯基腙化合物与MDM2蛋白（4JSC）之间的结合相互作用。体外和计算机模拟结果均表明，合成的化合物可作为有效的抗癌剂。
