Chemical Informatic Investigation of Anticancer Secondary Metabolites from Spina Gleditsiae Using HPLC and NMR-based Techniques

Jiayu Gao, Ranran Cao, W. Yin
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Abstract

Spina Gleditsiae is the herbal medicine traditionally used in Chinese Medicine for the treatment of human cancers. Though significant progress has been made toward our understanding of the antitumour mechanisms of Spina Gleditsiae, its anticancer chemical information remains unclear. In this study, we used computer-based chromatographic and spectral techniques to isolate and identify nine compounds including fustin(1), (+) trans-2R, 3R-3', 4', 5, 7-tetrahydroxyflavanonol (2), 8-C-glucopyranosyl-3, 4', 7-trihydroxyflavone (3), dihydrokaempferol (4), 5-methoxy-3', 4', 7'-trihydroxydihydroflavonol (5), 5, 3', 4', trimethoxy-7-hydroxydihydroflavonol (6), betulin (7), ß-sitosterol (8) and 2ß-carboxyl, 3ß-hydroxyl-norlupA (1)-20(29)-en-28-oic acid (9) from Spina Gleditsiae. Moreover, their anticancer effects were firstly confirmed on hepatoblastoma HepG2, oesophageal carcinoma EC109 and lung adenocarcinoma A549 cell lines in vitro. Our results provide a theoretical basis for the potential therapeutic use of Spina Gleditsiae in the treatment of malignancies.
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基于高效液相色谱和核磁共振技术的棘皂角抗癌次生代谢物化学信息学研究
棘骨皂荚是中医传统上用于治疗人类癌症的草药。尽管我们对棘豆抗肿瘤机制的了解已经取得了重大进展,但其抗癌化学信息仍不清楚。在这项研究中,我们使用基于计算机的色谱和光谱技术来分离和识别9个化合物包括fustin (1), (+) trans-2R,延长三3’,4’,5,7-tetrahydroxyflavanonol (2), 8-C-glucopyranosyl-3, 4”,7-trihydroxyflavone (3), dihydrokaempferol (4), 5-methoxy-3 ', 4 ', 7 ' -trihydroxydihydroflavonol(5)、5、3 ',4 ',trimethoxy-7-hydroxydihydroflavonol(6)、桦木醇(7),ß谷甾醇(8)和2ß羧基,3ß-hydroxyl-norlupA(1) -20(29)从脊柱Gleditsiae -en-28-oic酸(9)。首次在体外实验中证实了其对肝母细胞瘤HepG2、食管癌EC109和肺腺癌A549细胞的抑癌作用。我们的研究结果为棘骨在恶性肿瘤治疗中的潜在应用提供了理论基础。
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