School of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang 550025, China.
School of Humanities and Management, Guizhou University of Traditional Chinese Medicine, Guiyang 550025, China.
Molecules. 2023 Mar 10;28(6):2531. doi: 10.3390/molecules28062531.
Two new monoterpenoid indole alkaloids, gelselegandines F () and G (), were isolated from the aerial parts of . Their structures were elucidated by means of spectroscopic techniques and quantum chemical calculations. The ECD calculations were conducted at the B3LYP/6-311G(d,p) level and NMR calculations were carried out using the Gauge-Including Atomic Orbitals (GIAO) method. Structurally, the two new compounds possessed rare, cage-like, monoterpenoid indole skeletons. All isolated compounds and the total alkaloids extract were tested for cytotoxicity against four different tumor cell lines. The total alkaloids extract of exhibited significant antitumor activity with IC values ranging from 32.63 to 82.24 ug/mL. In order to discover anticancer leads from the active extraction, both new indole compounds () were then screened for cytotoxicity. Interestingly, compound showed moderate cytotoxicity against K562 leukemia cells with an IC value of 57.02 uM.
从 中分离得到两种新的单萜吲哚生物碱,gelselegandines F()和 G()。通过光谱技术和量子化学计算阐明了它们的结构。ECD 计算在 B3LYP/6-311G(d,p)水平上进行,NMR 计算使用包含自洽原子轨道的规范方法 (GIAO) 进行。结构上,这两种新化合物具有罕见的笼状单萜吲哚骨架。所有分离得到的化合物和总生物碱提取物都对四种不同的肿瘤细胞系进行了细胞毒性测试。总生物碱提取物对 表现出显著的抗肿瘤活性,IC 值范围为 32.63 至 82.24 ug/mL。为了从活性提取物中发现抗癌先导化合物,然后对两种新的吲哚类化合物()进行了细胞毒性筛选。有趣的是,化合物对 K562 白血病细胞表现出中等的细胞毒性,IC 值为 57.02 uM。