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Antitumor effect of proanthocyanidin induced apoptosis in human colorectal cancer (HT-29) cells and its molecular docking studies

机译:原花青素诱导人结肠直肠癌(HT-29)细胞凋亡的抗肿瘤作用及其分子对接研究

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摘要

Proanthocyanidin (PAC) is a promising compound that has displayed its potent antineoplastic properties with a specific intrinsic pathway. This precise us to explore the phyto-preventive effect of PAC against colon cancer (HT-29). The results showed that PAC inhibited the cell growth and GI50 value was found to be 6.25 μM for 24 h exposure, when correlated to the normal cell line does not have toxicity was noticed. The linguistic differences, similarly membrane blebbing, cell shrinkage fragmented nuclear bodies and mitochondrial membrane were observed in AO/EtBr and DAPI staining. The features of regular mechanical apoptotic characterization was analyzed by DNA fragmentation. The cell cycle arrest at G2/M phases was detected using FACS analysis. The early and late apoptotic cells were observed by using Annexin V/PI staining. The ligand–protein interaction and docking studies were performed using Schrodinger’s software. The QPLD analysis of docking studies revealed that PAC exhibited better binding affinity of − 5.23, − 5.17 and − 4.43, − 4.47 kcal/mol against BCL-XL, CDK2 and were compared with 5-FU respectively, which significantly reveals the anticancerous activity of Proanthocyanidin compound. Thus, the PAC compound provides future application of therapeutic option in the treatment of colon cancers.
机译:原花青素(PAC)是一种很有前途的化合物,它通过特定的内在途径表现出了强大的抗肿瘤特性。这使我们能够精确地探索PAC对结肠癌(HT-29)的植物预防作用。结果表明,PAC抑制了细胞生长,暴露24 h时GI50值为6.25μM,与正常细胞系相关时未发现毒性。在AO / EtBr和DAPI染色中观察到语言差异,类似的膜起泡,细胞收缩碎片状核体和线粒体膜。通过DNA片段分析对常规机械凋亡特征进行了分析。使用FACS分析检测在G2 / M期的细胞周期停滞。通过膜联蛋白V / PI染色观察早期和晚期凋亡细胞。使用Schrodinger的软件进行了配体与蛋白质的相互作用和对接研究。对接研究的QPLD分析表明,PAC对BCL-XL,CDK2的结合亲和力分别为-5.23,-5.17和-4.43,-4.47 kcal / mol,并与5-FU进行了比较,这显着揭示了PAC的抗癌活性原花青素化合物。因此,PAC化合物在结肠癌的治疗中提供了治疗选择的未来应用。

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