Identification of steroidal saponins from Tribulus terrestris and their in silico docking studies,Journal of Cellular Biochemistry

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Identification of steroidal saponins from Tribulus terrestris and their in silico docking studies
Journal of Cellular Biochemistry ( IF 3.0 ) Pub Date : 2021-08-01 , DOI: 10.1002/jcb.30113
Apurva Patel ₁ , Mital Bhatt ₂ , Anjali Soni ₁ , Preeti Sharma ₁

Affiliation

Tribulus terrestris is known to possess many pharmacological properties, most notably its anticancer activities, owing to its rich steroidal saponin contents. Even though many reports are available elucidating the anticancer potential of the herb, we, for the very first time have attempted to isolate and identified the active compound present in seed crude saponin extract and confers its in silico docking ability with various cellular targets proteins. High performance thin layer chromatography confirms the presence of active saponins in leaf and seed saponin extracts which were further fractionated by silica gel column chromatography. Fractions collected were assessed for cytotoxicity on human breast cancer cells. High resolution liquid chromatography and mass spectroscopy was employ to identify the active components present in fraction with highest cytotoxicity. Intriguingly, Nautigenin type of steriodal saponin was identified to present in the active fraction of seed extract (SF11) and the identified compound was further analyzed for its in silico docking interaction using PyRx AutodockVina. Docking studies revealed the high binding affinity of Nuatigenin at significant sites with apoptotic proteins Bcl-2, Bax, caspase-3, caspase-8, p53 and apoptosis inducing factor along with cell surface receptors estrogen receptor, projesterone receptor, epidermal growth factor receptor, and human epidermal growth factor receptor-2. Thus, the conclusions were drawn that saponin fraction of Tribulus terrestis possesses active compounds having anticancer property and specifically, Nuatigenin saponin can be considered as an important therapeutic drug for the breast cancer treatment.

中文翻译：

蒺藜甾体皂苷的鉴定及其计算机对接研究

蒺藜由于其丰富的甾体皂苷含量，已知具有许多药理特性，最显着的是其抗癌活性。尽管有许多报告阐明了这种草药的抗癌潜力，但我们首次尝试分离和鉴定种子粗皂苷提取物中存在的活性化合物，并赋予其与各种细胞靶蛋白的计算机对接能力。高效薄层色谱证实叶子和种子皂苷提取物中存在活性皂苷，并通过硅胶柱色谱进一步分离。评估收集的级分对人乳腺癌细胞的细胞毒性。高分辨率液相色谱法和质谱法用于鉴定存在于具有最高细胞毒性的级分中的活性成分。有趣的是，Nautigenin 类型的甾体皂苷被鉴定存在于种子提取物 (SF11) 的活性部分中，并使用 PyRx AutodockVina 进一步分析了鉴定出的化合物的计算机对接相互作用。对接研究表明 Nuatigenin 在重要位点与凋亡蛋白 Bcl-2、Bax、caspase-3、caspase-8、p53 和凋亡诱导因子以及细胞表面受体雌激素受体、孕酮受体、表皮生长因子受体、和人表皮生长因子受体-2。因此，得出的结论是，皂甙部分对接研究表明 Nuatigenin 在重要位点与凋亡蛋白 Bcl-2、Bax、caspase-3、caspase-8、p53 和凋亡诱导因子以及细胞表面受体雌激素受体、孕酮受体、表皮生长因子受体、和人表皮生长因子受体-2。因此，得出的结论是，皂甙部分对接研究表明 Nuatigenin 在重要位点与凋亡蛋白 Bcl-2、Bax、caspase-3、caspase-8、p53 和凋亡诱导因子以及细胞表面受体雌激素受体、孕酮受体、表皮生长因子受体、和人表皮生长因子受体-2。因此，得出的结论是，皂甙部分刺蒺藜拥有具有抗癌特性的活性化合物，具体而言，蒺藜皂甙可被认为是治疗乳腺癌的重要治疗药物。

更新日期：2021-08-01

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