Λεπτομέρειες βιβλιογραφικής εγγραφής
| Τίτλος: |
Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds. |
| Συγγραφείς: |
Wang, Lingling, Xiong, Feng, Zhao, Shuo, Yang, Yang, Zhou, Guoying |
| Πηγή: |
BMC Complementary Medicine & Therapies; 5/3/2022, Vol. 22 Issue 1, p1-15, 15p, 6 Diagrams, 4 Charts, 3 Graphs |
| Θεματικοί όροι: |
Functional foods, Antioxidants, Organic compounds, Rhubarb, Cellular signal transduction, Mass spectrometry, Genes, Descriptive statistics, Research funding, Pharmaceutical chemistry, Computer-assisted molecular modeling, Biological assay, Mitogen-activated protein kinases, Chinese medicine |
| Περίληψη: |
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). Conclusion: 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. [ABSTRACT FROM AUTHOR] |
|
Copyright of BMC Complementary Medicine & Therapies is the property of BioMed Central and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| Βάση Δεδομένων: |
Complementary Index |