Identification of the constituents and the cancer-related targets of the fruit of Solanum nigrum based on molecular docking and network pharmacology.
作者： Xuemei Qin , Zhenyu Li , LinJiao Yang , Shuhong Gao , Zhenzhi Su
DOI: 10.1016/J.JPBA.2021.114067
关键词:
摘要: The fruit of Solanum nigrum (FSN) exhibited a variety biological activities. However, the chemical composition fruit, as well steroidal alkaloids responsible for bioactivity and mechanism action need to be further studied. ultrahigh performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q Orbitrap HRMS) nuclear magnetic resonance (NMR) were applied investigate FSN, which led identification 170 compounds, including 12 amino acids, 4 caffeoylquinic 2 flavonols, 114 steroid alkaloids, 5 saponins 33 other structure compounds. network pharmacology showed that anticancer effect 14 was probably acting through 99 targets. Among them, 11 targets played important role based on results molecular docking. This study enriched our knowledge about in FSN.
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