Key Laboratory of Tibetan Medicine Research, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, 810008, China.
University of Chinese Academy of Sciences, Beijing, 100049, China.
BMC Complement Med Ther. 2022 May 3;22(1):121. doi: 10.1186/s12906-022-03611-3.
Rheum tanguticum (R. tanguticum) is an edible and medicinal plant that exhibits high antioxidant activity. The purpose of the present study was to investigate the bioactive components of its seeds and the potential mechanisms of antioxidant activity to provide a foundation for further developmental work on R. tanguticum seeds as a functional food.
In this study, the antioxidant activities of R. tanguticum seeds were measured using DPPH, ABTS and FRAP assays. LC-Q-TOF/MS was used to identify the active compounds in the seeds, and Swiss Target Prediction was used to identify their potential targets. The DisGENET, DrugBank, OMIM and GeneCard databases were used to search for antioxidant-related targets.
The component-target-pathway network was constructed and included 5 compounds and 9 target genes. The hub genes included ESR1, APP, MAPK8, HSP90AA1, AKT1, MMP2, PTGS2, TGFB1 and JUN. The antioxidant activity signaling pathways of the compounds for the treatment of diseases were the cancer signaling pathway, estrogen signaling pathway, colorectal cancer signaling pathway, MAPK signaling pathway, etc. Molecular docking revealed that the compounds in R. tanguticum seeds could inhibit potential targets (AKT1, ESR1 and PTGS2).
Molecular docking studies revealed that the binding energy score between liriodenine and PTGS2 was the highest (8.16), followed by that of chrysophanol (7.10). This result supports the potential for PTGS2-targeted drug screening and design.
唐古特瑞香（R. tanguticum）是一种可食用和药用植物，具有很高的抗氧化活性。本研究旨在探讨其种子的生物活性成分及其抗氧化活性的潜在机制，为唐古特瑞香种子作为功能性食品的进一步开发提供基础。
本研究采用 DPPH、ABTS 和 FRAP 测定法测定唐古特瑞香种子的抗氧化活性。采用 LC-Q-TOF/MS 鉴定种子中的活性化合物，采用 Swiss Target Prediction 鉴定其潜在靶点。使用 DisGENET、DrugBank、OMIM 和 GeneCard 数据库搜索与抗氧化相关的靶点。
构建了成分-靶点-通路网络，包含 5 种化合物和 9 个靶基因。枢纽基因包括 ESR1、APP、MAPK8、HSP90AA1、AKT1、MMP2、PTGS2、TGFB1 和 JUN。化合物治疗疾病的抗氧化活性信号通路包括癌症信号通路、雌激素信号通路、结直肠癌信号通路、MAPK 信号通路等。分子对接显示，唐古特瑞香种子中的化合物可以抑制潜在靶点（AKT1、ESR1 和 PTGS2）。
分子对接研究表明，毛瑞香素与 PTGS2 的结合能评分最高（8.16），其次是大黄素（7.10）。这一结果支持以 PTGS2 为靶点的药物筛选和设计的潜力。
