Nazir Shaimaa, El-Sherif Ahmed A, Abdel-Ghani Nour T, Ibrahim Mahmoud A A, Hegazy Mohamed-Elamir F, Atia Mohamed A M
Chemistry Department, Faculty of Science, Cairo University, Giza 12613, Egypt.
Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.
Plants (Basel). 2021 Sep 9;10(9):1863. doi: 10.3390/plants10091863.
Hepatocellular carcinoma (HCC) is the most common primary liver cancer and the greatest cause of cancer-related death in the world. Garden cress () seeds have been proven to possess extraordinary antioxidant, anti-inflammatory, hypothermic, and analgesic properties. In this study, in vitro cytotoxic efficiency evaluation of fractions was performed against two hepatocellular carcinoma cell lines (HuH-7 and HEPG-2), and the expression of some apoptotic genes was explored. In addition, the chemical composition of a potent extract of was analyzed using gas chromatography coupled with mass spectrometry. Then, molecular docking analysis was implemented to identify the potential targets of the components' most potent extract. Overall, the -hexane extract was the most potent against the two HCC cell lines. Moreover, these cytotoxicity levels were supported by the significant downregulation of EGFR and BCL2 gene expression levels and the upregulation of SMAD3, BAX, and P53 expression levels in both HuH-7 and HEPG2 cell lines. Regarding 's chemical composition, GC-MS analysis of the -hexane extract led to the identification of thirty compounds, including, mainly, hydrocarbons and terpenoids, as well as other volatile compounds. Furthermore, the binding affinities and interactions of the -hexane fraction's major metabolites were predicted against EGFR and BCL2 molecular targets using the molecular docking technique. These findings reveal the potential use of in the management of HCC.
肝细胞癌（HCC）是最常见的原发性肝癌，也是全球癌症相关死亡的主要原因。水田芥（）种子已被证明具有非凡的抗氧化、抗炎、降温及镇痛特性。在本研究中，对两种肝癌细胞系（HuH-7和HEPG-2）进行了各馏分的体外细胞毒性效率评估，并探究了一些凋亡基因的表达。此外，使用气相色谱-质谱联用技术分析了水田芥一种有效提取物的化学成分。然后，进行分子对接分析以确定水田芥成分中最有效提取物的潜在靶点。总体而言，正己烷提取物对两种肝癌细胞系的作用最为显著。此外，在HuH-7和HEPG2细胞系中，EGFR和BCL2基因表达水平的显著下调以及SMAD3、BAX和P53表达水平的上调支持了这些细胞毒性水平。关于水田芥的化学成分，对正己烷提取物的气相色谱-质谱分析鉴定出30种化合物，主要包括烃类、萜类以及其他挥发性化合物。此外，使用分子对接技术预测了正己烷馏分主要代谢产物与EGFR和BCL2分子靶点的结合亲和力及相互作用。这些发现揭示了水田芥在肝细胞癌治疗中的潜在用途。
