通过分子网络和代谢学方法解读类固醇和氨酸类化合物作为抗白血病剂
Suni Liu1, Katyuce Souza Farias1, Vanessa Samudio Santos Zanuncio1
1Faculty of Pharmaceutical Sciences, Food and Nutrition (FACFAN), Laboratory of Natural Products and Mass Spectrometry (LaPNEM), Federal University of Mato Grosso do Sul, Campo Grande, Mato Grosso do Sul 79070-900, Brazil.
来自18个物种的植物化合物对白血病细胞进行了选. 统计分析和分子网络识别出强大的类固醇和阿波芬类化合物,显示出药物发现的前景.
科学领域:
- 植物化学 植物化学
- 自然产品 药物发现 药物发现
- 癌细胞生物学 癌细胞生物学
背景情况:
- 植物化学多样性为新药发现提供了丰富的来源.
- 整合代谢数据和分子网络加速了生物活性化合物的识别.
- 白血病仍然是一个重大的健康问题,需要寻找新的治疗药物.
研究的目的:
- 评估来自18种植物的化学成分对白血病癌细胞系的细胞毒性作用.
- 应用统计分析和分子网络来预测植物提取物中的生物活性代谢物.
- 确定特定类的化合物,如类固醇和阿波芬类化合物,具有潜在的抗白血病活性.
主要方法:
- 使用乙醇和水混合物的加快溶剂提取法提取18种植物物种.
- 通过液体染色学-二极管阵列检测-质谱学 (LC-DAD-MS) 分析植物提取物.
- 对卡苏米-1,KG-1和K-562白血病细胞系的细胞毒性测定.
- 用于化合物预测的代谢数据和分子网络的统计分析.
- 确定活性化合物和分量的EC50值.
主要成果:
- 包括*Solanum glaucophyllum*和*Ocotea diospyrifolia*在内的八种植物物种显示出显著抑制白血病细胞活力.
- 来自*S. glaucophyllum*和*O. diospyrifolia*的类分离物表现出强烈的细胞毒性作用,EC50值低至6.4μg/mL,诱导了亡.
- 分子网络和统计分析突出显示了类固醇和阿波芬类化合物,博尔丁在多种白血病细胞系中表现出活性.
结论:
- 这项研究验证了综合代谢和分子网络方法的使用,以有效地发现生物活性代谢物.
- 来自植物的类固醇和阿波芬类化合物显示出作为治疗白血病的重要潜力.
- 已识别的化合物和方法为开发新型抗白血病药物提供了有希望的途径.
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