Modern Research Center for Traditional Chinese Medicine, Shanxi University, Taiyuan, 030006, China; Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Shanxi University, Wucheng Road 92, Taiyuan, 030006, China.
Shanxi Pharmaceutical Vocational College, Taiyuan, 030031, China.
J Pharm Biomed Anal. 2021 Jun 5;200:114067. doi: 10.1016/j.jpba.2021.114067. Epub 2021 Apr 20.
The fruit of Solanum nigrum (FSN) exhibited a variety of biological activities. However, the chemical composition of the fruit, as well as the steroidal alkaloids responsible for the bioactivity and the mechanism of action need to be further studied. The ultrahigh performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q Orbitrap HRMS) and nuclear magnetic resonance (NMR) were applied to investigate the chemical composition of FSN, which led to the identification of 170 compounds, including 12 amino acids, 4 caffeoylquinic acids, 2 flavonols, 114 steroid alkaloids, 5 steroid saponins and 33 other structure compounds. The network pharmacology showed that the anticancer effect of 14 steroid alkaloids was probably acting through 99 biological targets. Among them, 11 alkaloids and 11 targets probably played the important role based on the results of molecular docking. This study enriched our knowledge about the chemical composition of FSN, as well as the anticancer mechanism of steroidal alkaloids in FSN.
龙葵的果实（FSN）表现出多种生物活性。然而，果实的化学成分，以及负责生物活性和作用机制的甾体生物碱，需要进一步研究。超高效液相色谱与混合四极杆轨道阱质谱联用（UHPLC-Q Orbitrap HRMS）和核磁共振（NMR）被应用于研究 FSN 的化学成分，共鉴定出 170 种化合物，包括 12 种氨基酸、4 种咖啡酰奎宁酸、2 种黄酮醇、114 种甾体生物碱、5 种甾体皂苷和 33 种其他结构化合物。网络药理学表明，14 种甾体生物碱的抗癌作用可能是通过 99 个生物靶点发挥作用的。其中，11 种生物碱和 11 个靶点可能基于分子对接的结果发挥了重要作用。这项研究丰富了我们对 FSN 化学成分以及 FSN 中甾体生物碱抗癌机制的认识。
