Graduate Program of Pharmaceutical Sciences, Federal University of Espirito Santo, Vitoria 29047-105, Brazil.
Department of Oceanography and Ecology, Federal University of Espirito Santo, Vitoria 29075-910, Brazil.
Mar Drugs. 2023 May 24;21(6):318. doi: 10.3390/md21060318.
Studies estimate that nearly 2 million new cases of gastric cancer will occur worldwide during the next two decades, which will increase mortality associated with cancer and the demand for new treatments. Marine algae of the genus have secondary metabolites known for their cytotoxic action, such as terpenes and acetogenins. The species has demonstrated cytotoxicity against many types of tumors in previous analyses. In this study, we determined the structure of terpenes, acetogenins, and one fatty acid of using mass spectrometry (ESI-FT-ICR/MS). In vitro cytotoxicity assays were performed with adenocarcinoma gastric cells (AGS) to select the most cytotoxic fraction of the crude extract of . The Hex:AcOEt fraction was the most cytotoxic, with IC 9.23 µg/mL. The selectivity index of 15.56 shows that the Hex:AcOEt fraction is selective to cancer cells. Compounds obtained from were tested by the analysis of crystallographic complexes. Molecular docking calculations on the active site of the HIF-2α protein showed the highest affinity for sesquiterpene chermesiterpenoid B, identified from HEX:AcOEt fraction, reaching a score of 65.9. The results indicate that presents potential compounds to be used in the treatment of neoplasms, such as gastric adenocarcinoma.
研究估计，在未来二十年，全球将新增近 200 万例胃癌病例，这将增加癌症相关死亡率和对新疗法的需求。已发现属的海洋藻类具有细胞毒性作用的次生代谢产物，如萜类化合物和乙酰氧基酮类化合物。该属的一些种在之前的分析中对多种类型的肿瘤表现出细胞毒性。在这项研究中，我们使用质谱（ESI-FT-ICR/MS）确定了 的萜类化合物、乙酰氧基酮类化合物和一种脂肪酸的结构。我们用腺癌胃细胞（AGS）进行体外细胞毒性测定，以筛选 的粗提物中最具细胞毒性的部分。Hex:AcOEt 部分具有最高的细胞毒性，IC 为 9.23 µg/mL。选择性指数为 15.56，表明 Hex:AcOEt 部分对癌细胞具有选择性。从 中获得的化合物通过分析晶体复合物进行了测试。对 HIF-2α 蛋白活性部位的分子对接计算表明，从 HEX:AcOEt 部分鉴定出的倍半萜 chermesiterpenoid B 与该蛋白具有最高亲和力，得分达到 65.9。结果表明， 具有作为治疗胃癌等肿瘤的潜在化合物。
