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Evaluation of in vitro antioxidant, anticancer activities and molecular docking studies of Capparis zeylanica Linn. leaves

机译:CAPPARIS Zeylanica LINN体外抗氧化剂,抗癌活性和分子对接研究的评价。 树叶

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Background:Capparis zeylanica Linn. leaf extract was subjected to phytochemical screening for the determination of antioxidant and anticancer activity on (MCF-7) human breast cancer cells. The phytoconstituents previously determined were subjected to molecular docking studies against human epidermal growth factor receptor 2 (HER2) protein as a target receptor to support antioxidant and anticancer activities.ResultsPowdered plant leaves were extracted by maceration method using ethyl acetate, chloroform, methanol, ethanol and distilled water. Preliminary phytochemical evaluation and total phenolic and flavonoid content of the extract were evaluated using biochemical tests. Total antioxidant capacity of the extract was evaluated using different assays. Anticancer potential of methanolic and ethanolic extracts was studied on human breast cancer cells. Molecular docking studies were performed to evaluate the binding interactions of phytoconstituents on HER2 protein using AutoDock Vina.Phytochemical evaluation confirmed the presence of saponins, flavonoids, tannins, phenols, carbohydrates and proteins. Ethanolic extract showed a maximum total phenolic and flavonoid content in support with antioxidant and anticancer activities. The ethanolic leaf extract showed 66.63% cell growth inhibition against MCF-7 cells. Molecular docking studies revealed the highest binding affinity (? 8.4 Kcal/mol) of α-amyrin followed by quercetin and β-carotene. Glucocapparin, syringic acid, vanillic acid and p-coumaric acid showed almost a similar binding affinity to the amino acid residues of HER2 protein as compared to 5-FU.ConclusionC. zeylanica leaf extract showed the presence of phenolic and flavonoid constituents responsible for antioxidant and in vitro anticancer activities. Molecular docking studies showed the binding affinity of phytoconstituents on targeted HER2 protein.
机译:背景: Capparis Zeylanica Linn。对叶提取物进行植物化学筛选,用于测定(MCF-7)人乳腺癌细胞的抗氧化剂和抗癌活性。以前确定的植物试剂对抗人表皮生长因子受体2(HER2)蛋白作为靶受体的分子对接研究,以支持抗氧化剂和抗癌活性。通过使用乙酸乙酯,氯仿,甲醇,乙醇和乙醇和蒸馏水。利用生化试验评估提取物的初步植物化学评估和总酚类和黄酮类化合物含量。使用不同的测定评估提取物的总抗氧化能力。研究人乳腺癌细胞中甲醇和乙醇提取物的抗癌潜力。进行分子对接研究以评估使用Autodock Vina的植物植物植物对HER2蛋白的结合相互作用。双胞生化学评价证实了皂苷,黄酮类化合物,单宁,酚,碳水化合物和蛋白质的存在。乙醇提取物显示出最大总酚类和黄酮类化合物含量,抗氧化剂和抗癌活性。乙醇叶提取物显示出对MCF-7细胞的66.63%的细胞生长抑制。分子对接研究揭示了α-奥霉素的最高结合亲和力(α.8.4kcal/ mol),然后是槲皮素和β-胡萝卜素。与5-FU.CONCLUSION C相比,Glucococaparin,注射酸,香草酸和p-香豆酸与HER2蛋白的氨基酸残基几乎是类似的结合亲和力。 Zeylanica 叶提取物显示出酚类和黄酮类化合物的存在,其负责抗氧化剂和体外抗癌活性。分子对接研究表明植物植物植物对靶向HER2蛋白的结合亲和力。

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