Potential Cytotoxic Activity of Methanol Extract, Ethyl Acetate, and n-Hexane Fraction from Clitoria ternatea L. on MCF-7 Breast Cancer Cell Line and Molecular Docking Study to P53

Rollando Rollando, Marsha Anggita Amelia, Muhammad Hilmi Afthoni, Kestrilia Rega Prilianti
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Abstract

Breast cancer is a condition where the cells in breast tissue lose control and multiply uncontrollably. In this study, MCF-7 breast cancer cells were tested for cytotoxic activity using the MTT assay and the active compound's interaction with the p53 protein was tested in silico. The most active fraction was found to be the ethyl acetate fraction, with an IC50 value of 1.730 μg/mL and a selectivity index of 2.485. However, the selectivity index was less than 3, and Vero cells showed changes in morphology with the addition of the ethyl acetate fraction. GC-MS was used to identify 19 compounds in the ethyl acetate fraction, and in-silico tests were performed on 5 potential anticancer compounds. Lipinski's Rule of Five test showed that only 3 of these compounds could undergo molecular docking. The results indicated that Anethole compound can interact with p53 protein, while Cinnamaldehyde, (E)- can interact with p21 protein.
阴蒂甲醇提取物、乙酸乙酯和正己烷组分对MCF-7乳腺癌细胞株的潜在细胞毒活性及与P53的分子对接研究
乳腺癌是指乳腺组织中的细胞失去控制,无法控制地繁殖。在这项研究中,使用MTT法检测MCF-7乳腺癌细胞的细胞毒活性,并在硅片中检测活性化合物与p53蛋白的相互作用。其中乙酸乙酯部位活性最强,IC50值为1.730 μg/mL,选择性指数为2.485。但选择性指数小于3,且加入乙酸乙酯后Vero细胞形态发生改变。采用气相色谱-质谱法对乙酸乙酯部位中的19个化合物进行了鉴定,并对5个潜在的抗癌化合物进行了硅质谱测试。利平斯基的五定律测试表明,这些化合物中只有三种可以进行分子对接。结果表明,茴香脑化合物可与p53蛋白相互作用,肉桂醛(E)-可与p21蛋白相互作用。
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