Abstract

The constituents of Ceratocarpus arenarius L., as a traditional anticancer medicine of Kazakh, were firstly profiled with UHPLC-QTOF-MS/MS. The potential compounds against EGFR-TK were virtually screened. As a result, forty-four compounds were analyzed, including 18 flavonoids, 8 steroids, 4 phenolic acids, 9 fatty acids, 1 coumarin and 4 other compounds. Among them, 9 flavonoids, N-trans-Feruloyltyramine (5), stigmasterol (11) and carthamone (38) were recognized as potential key anti-tumor constituents of C. arenarius through docking to active site of EGFR-TK. It indicated that the compounds formed moderate to strong interactions with EGFR-TK contributing to the antitumor activity through a synergetic actions. Besides, the anticancer effects of C. arenarius was verified with in-vitro anti-tumor activity investigation against A549. Our results firstly reveals the active constituents basis of C. arenarius against cancer and provides novel insights into the further application of effective constituents and mechanism of C. arenarius.

摘要

作为哈萨克斯坦的传统抗癌药物，角果树的成分首次采用 UHPLC-QTOF-MS/MS 进行了分析。对 EGFR-TK 的潜在化合物进行了虚拟筛选。结果，分析了 44 种化合物，包括 18 种类黄酮、8 种类固醇、4 种酚酸、9 种脂肪酸、1 种香豆素和 4 种其他化合物。其中，9种黄酮类化合物、N-反式-阿魏酰胺 ( 5 )、豆甾醇 ( 11 ) 和红花酮 ( 38 ) 被认为是沙枣潜在的关键抗肿瘤成分通过对接至 EGFR-TK 的活性位点。这表明化合物与 EGFR-TK 形成中度至强烈的相互作用，通过协同作用促进抗肿瘤活性。此外，通过对A549的体外抗肿瘤活性研究，验证了C. arenarius的抗癌作用。我们的研究结果首次揭示了海参抗癌的活性成分基础，为海参有效成分的进一步应用和机制提供了新的见解。