Abstract：
BACKGROUND: 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.
METHODS: 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.
RESULTS: 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).
CONCLUSIONS: 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.
METHODS: 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.
RESULTS: 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).
CONCLUSIONS: 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.
摘要：
背景：唐古泰大黄(R.tangutum）是一种可食用和药用植物，具有很高的抗氧化活性。本研究的目的是研究其种子的生物活性成分和抗氧化活性的潜在机制，为进一步开发唐古特种子作为功能性食品的工作奠定基础。
方法：在本研究中，用DPPH，ABTS和FRAP测定。LC-Q-TOF/MS用于鉴定种子中的活性化合物。和瑞士目标预测被用来识别他们的潜在目标。DisGENET,DrugBank,使用OMIM和GeneCard数据库来搜索与抗氧化剂相关的靶标。
结果：构建了组件-目标-途径网络，包括5个化合物和9个目标基因。hub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为肿瘤信号通路,雌激素信号通路，结直肠癌信号通路，MAPK信号通路,等。分子对接表明，丹参草种子中的化合物可以抑制潜在的靶标（AKT1，ESR1和PTGS2）。
结论：分子对接研究显示，liriodenine和PTGS2之间的结合能得分最高（8.16），其次是大黄酚（7.10）。该结果支持PTGS2靶向药物筛选和设计的潜力。
方法：在本研究中，用DPPH，ABTS和FRAP测定。LC-Q-TOF/MS用于鉴定种子中的活性化合物。和瑞士目标预测被用来识别他们的潜在目标。DisGENET,DrugBank,使用OMIM和GeneCard数据库来搜索与抗氧化剂相关的靶标。
结果：构建了组件-目标-途径网络，包括5个化合物和9个目标基因。hub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为肿瘤信号通路,雌激素信号通路，结直肠癌信号通路，MAPK信号通路,等。分子对接表明，丹参草种子中的化合物可以抑制潜在的靶标（AKT1，ESR1和PTGS2）。
结论：分子对接研究显示，liriodenine和PTGS2之间的结合能得分最高（8.16），其次是大黄酚（7.10）。该结果支持PTGS2靶向药物筛选和设计的潜力。
