ClematisgravolensLindl. 是喜马拉雅地区发现的一种本土攀缘植物，当地社区使用它来治疗颈部肿瘤。这项工作的目的是检查 C.graveolens 粗提物和级分的综合代谢组学特征、抗氧化能力、体外和计算机中对 U-87 人神经胶质瘤细胞系的抗神经胶质瘤作用。液相色谱与质谱联用 (LC-MS/MS) 用于建立 C.gravolelens 的详细代谢物分析。使用MTT细胞活力测定对U-87和BHK-21进行细胞毒性评估。通过分子对接研究，还确定了已识别化合物与靶蛋白之间的抑制模式和结合相互作用，以评估体外结果。使用基于 LC-MS/MS 的全球天然产物社会 (GNPS) 分子网络分析鉴定出 27 种化合物。粗提物、乙酸乙酯组分和氯仿组分对 U-87 细胞系表现出显着的抑制活性，IC50 值分别为 112.0、138.1 和 142.7 µg/mL。乙酸乙酯馏分对 2,2'-连氮基-双 (3-乙基苯并噻唑啉-6-磺酸) (ABTS) 活性、2,2-二苯基-1-三硝基苯肼 (DPPH) 活性和金属螯合活性表现出显着的抑制浓度IC50 值分别为 39.50 µg/mL、32.27 µg/mL 和 53.46 µg/mL。粗提物显示最大总酚和总黄酮浓度分别为 338.7 µg GAE/mg 和 177.04 µg QE/mg。这项研究的结果表明，C.gravolens 由多种具有抗氧化和抗神经胶质瘤特性的活性植物成分组成。© 2024。作者。

Clematis graveolens Lindl., an indigenous climbing plant found in the Himalayan areas, is used by local communities for the treatment of neck tumors. The objective of this work is to examine the comprehensive metabolomic profile, antioxidant capability, in vitro and in silico anti-glioma effects on U-87 human glioma cell lines of the crude extract and fractions from C. graveolens. Liquid chromatography coupled with mass spectroscopy (LC-MS/MS) was used to establish detailed metabolite profiling of C. graveolens. The assessment of cell cytotoxicity was conducted using MTT cell viability assay on U-87 and BHK-21. Through molecular docking studies, the mode of inhibition and binding interaction between identified compounds and target proteins were also determined to evaluate the in vitro results. The use of LC-MS/MS-based global natural products social (GNPS) molecular networking analysis resulted in the identification of 27 compounds. The crude extract, ethyl acetate fraction, and chloroform fraction exhibited significant inhibitory activity against the U-87 cell lines, with IC50 values of 112.0, 138.1, and 142.7 µg/mL, respectively. The ethyl acetate fraction exhibited significant inhibitory concentration for 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) activity, 2,2-diphenyl-1-picrylhydrazyl (DPPH) activity and the metal chelation activity with IC50 value of 39.50 µg/mL, 32.27 µg/mL, and 53.46 µg/mL, respectively. The crude extract showed maximum total phenolic, and total flavonoid concentration measuring 338.7 µg GAE/mg, and 177.04 µg QE/mg, respectively. The findings of this study indicate that C. graveolens consists of a diverse range of active phytoconstituents that possess antioxidant and anti-glioma properties.© 2024. The Author(s).