Institute of Chinese Medicine Resources, Hunan Academy of Chinese Medicine, Changsha 410013, PR China.
Institute of Chinese Medicine Resources, Hunan Academy of Chinese Medicine, Changsha 410013, PR China; Hunan Academy of Chinese Medicine Affiliated Hospital, Changsha 410013, PR China.
J Pharm Biomed Anal. 2024 Oct 15;249:116345. doi: 10.1016/j.jpba.2024.116345. Epub 2024 Jul 6.
Ophiocordyceps xuefengensis (O. xuefengensis), the sister taxon of Ophiocordyceps sinensis (O. sinensis), is consumed as a "tonic food" due to its health benefits. However, little is known regarding the chemistry and bioactivity of O. xuefengensis. In this study, we characterized 80 indole-based alkaloids in the ethyl acetate fraction of O. xuefengensis by high performance liquid chromatography-quadrupole time of flight mass spectrometry (HPLC-Q-TOF-MS/MS), of which 54 indole-based alkaloids were identified as possibly new compounds. Furthermore, 29 of these compounds were established as potential anti-cancer compounds by ligand fishing combined with HPLC-Q-TOF-MS/MS. Moreover, molecular docking identified the NH- and OH- groups of these compounds as the key active groups. The present study has expanded the knowledge on the characteristic indole-based alkaloids and anti-cancer activity of O. xuefengensis.
雪榕虫草（Ophiocordyceps xuefengensis）是冬虫夏草（Ophiocordyceps sinensis）的姊妹种，具有一定的保健作用，被当作“滋补品”食用。然而，目前对于雪榕虫草的化学成分和生物活性知之甚少。在这项研究中，我们采用高效液相色谱-四极杆飞行时间质谱联用技术（HPLC-Q-TOF-MS/MS）对雪榕虫草的乙酸乙酯部位进行了 80 种吲哚生物碱的特征分析，其中 54 种被鉴定为可能的新化合物。此外，通过配体垂钓结合 HPLC-Q-TOF-MS/MS 确定了其中 29 种化合物具有潜在的抗癌活性。此外，分子对接结果表明，这些化合物的 NH-和 OH-基团是关键的活性基团。本研究扩展了对雪榕虫草特征性吲哚生物碱和抗癌活性的认识。
